SCHEMBL3132985

SCHEMBL3132985

c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
HTT P42858 1/20 0.42
DRD1 P21728 2/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PKM P14618 1/20 0.30
PKLR P30613 1/20 0.30
MTNR1A P48039 1/20 0.30
MAOA P21397 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3136613 0.93 ITGB2 (0.39) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL372145 0.93 ITGB2 (0.39) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL20351197 0.91 ITGB2 (0.38) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL3133241 0.91 ITGB2 (0.38) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL13243539 0.91 ITGB2 (0.38) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL3136653 0.89 ABCG2 (0.46) ITGB2ICAM1ITGALDRD1CYP3A4
SCHEMBL4837678 0.86 DRD1 (0.38) ITGB2ICAM1ITGALDRD1CYP3A4
SCHEMBL19928557 0.85 DRD1 (0.36) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL9913796 0.85 DRD1 (0.36) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL18979231 0.84 DRD1 (0.35) ITGB2ICAM1ITGALSMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032664-A1 Novel process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide BUTLER DONALD E 2007-02-08 US claimed
US-20050239869-A1 Novel process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1eta-pyrrole-3-carboxylic acid phenylamide BUTLER DONALD E 2005-10-27 US claimed
US-20030195353-A1 Novel process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo- tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide BUTLER DONALD EUGENE (US) 2003-10-16 US claimed
US-6476235-B2 CHEMICAL INTERMEDIATE; ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS WARNER-LAMBERT COMPANY 2002-11-05 US claimed
US-20020133026-A1 NOVEL PROCESS FOR THE SYNTHESIS OF 5-(4-FLUOROPHENYL)-1-[2-((2R,4R)-4-HYDROXY-6-OXO-TETRAHYDRO-PYRAN-2-YL)-ETHYL]-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID PHENYLAMIDE BUTLER DONALD EUGENE (US) 2002-09-19 US claimed
US-20210253584-A1 Processes for Preparing Jak Inhibitors and Related Intermediate Compounds INCYTE HOLDINGS CORPORATION 2021-08-19 US disclosed
US-10975085-B2 Process for preparing a composition comprising an enantiomeric excess of greater than or equal to 90% of the (R)-enantiomer of a compound of formula III INCYTE HOLDINGS CORPORATION (US) 2021-04-13 US disclosed
US-10364248-B2 Processes for preparing 4-chloro-7H-pyrrolo[2,3-d]pyrimidine INCYTE CORPORATION (US) 2019-07-30 US disclosed
US-9908888-B2 Processes for preparing pyrazolyl-substituted pyrrolo[2,3-d]pyrimidines INCYTE CORPORATION (US) 2018-03-06 US disclosed
US-9908888-B2 Processes for preparing pyrazolyl-substituted pyrrolo[2,3-d]pyrimidines INCYTE CORPORATION (US) 2018-03-06 US disclosed
EP-3272738-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS Incyte Holdings Corporation (US) 2018-01-24 EP disclosed
EP-2398774-B1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE HOLDINGS CORP (US) 2017-07-05 EP disclosed
US-20100130745-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS MCGARRITY JOHN 2010-05-27 US disclosed
EP-1951695-B1 CATALYZED PROCESS OF MAKING C-5-SUBSTITUTED HETEROCYCLIC INHIBITORS OF 11ß-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2009-12-23 EP disclosed
US-7541474-B2 Catalyzed process of making C-5-substituted heterocyclic inhibitors of 11β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2009-06-02 US disclosed
US-7541474-B2 Catalyzed process of making C-5-substituted heterocyclic inhibitors of 11β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2009-06-02 US disclosed
EP-1988079-A1 Process for the preparation of optically active ethenylphenyl-alcohols LONZA AG (CH) 2008-11-05 EP disclosed
WO-2008077560-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 2-AMINO-1-PHENYLETHANOLS LONZA AG (CH) 2008-07-03 WO disclosed
WO-2007061600-A1 CATALYZED PROCESS OF MAKING C-5-SUBSTITUTED HETEROCYCLIC INHIBITORS OF 11ß-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN, INC. (US) 2007-05-31 WO disclosed
US-20070117985-A1 Catalyzed process of making C-5-substituted heterocyclic inhibitors of 11beta-hydroxy steroid dehydrogenase type 1 AMGEN, INC. 2007-05-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10975085-B2 Process for preparing a composition comprising an enantiomeric excess of greater than or equal to 90% of the (R)-enantiomer of a compound of formula III JAK1, JAK3, JAK2 ITGB2 3626/4885ICAM1 4494/4885ITGAL 3423/4885
US-20210253584-A1 Processes for Preparing Jak Inhibitors and Related Intermediate Compounds JAK3, JAK1, JAK2 ITGB2 4133/4885ICAM1 3193/4885ITGAL 3858/4885
US-20100130745-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS ADH1A, ADH1C, ADH5 ITGB2 1195/4885ICAM1 2406/4885ITGAL 1135/4885
US-20050239869-A1 Novel process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1eta-pyrrole-3-carboxylic acid phenylamide PAH, PCCA, HPD ITGB2 4058/4885ICAM1 4758/4885ITGAL 4060/4885
US-20030195353-A1 Novel process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo- tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide PCCA, PAH, HPD ITGB2 4226/4885ICAM1 4834/4885ITGAL 4050/4885
US-20020133026-A1 NOVEL PROCESS FOR THE SYNTHESIS OF 5-(4-FLUOROPHENYL)-1-[2-((2R,4R)-4-HYDROXY-6-OXO-TETRAHYDRO-PYRAN-2-YL)-ETHYL]-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID PHENYLAMIDE PCCA, PAH, HPD ITGB2 4246/4885ICAM1 4812/4885ITGAL 4063/4885
US-20070032664-A1 Novel process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide PAH, PCCA, HPD ITGB2 4171/4885ICAM1 4793/4885ITGAL 4041/4885
US-10364248-B2 Processes for preparing 4-chloro-7H-pyrrolo[2,3-d]pyrimidine JAK1, JAK3, JAK2 ITGB2 4512/4885ICAM1 4035/4885ITGAL 3796/4885
US-20070117985-A1 Catalyzed process of making C-5-substituted heterocyclic inhibitors of 11beta-hydroxy steroid dehydrogenase type 1 SRD5A1, HSD11B1, HSD3B1 ITGB2 3507/4885ICAM1 4674/4885ITGAL 2034/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.