Sugi Predict

Sugi Predict / Compounds / SCHEMBL3136613

SCHEMBL3136613

SCHEMBL3136613

c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 1/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ ITGAL P20701 1/20 0.39
▸ DRD1 P21728 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ CRHBP P24387 2/20 0.35
▸ CRHR2 Q13324 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ ITGB1 P05556 2/20 0.31
▸ ITGA2 P17301 2/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ KDM1A O60341 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
SCHEMBL20351197 0.98 ITGB2 (0.38) ITGB2ICAM1ITGALDRD1CYP3A4
SCHEMBL3133241 0.98 ITGB2 (0.38) ITGB2ICAM1ITGALDRD1CYP3A4
SCHEMBL13243539 0.98 ITGB2 (0.38) ITGB2ICAM1ITGALDRD1CYP3A4
SCHEMBL372145 0.97 ITGB2 (0.39) ITGB2ICAM1ITGALDRD1CYP3A4
SCHEMBL3132985 0.93 ITGB2 (0.46) ITGB2ICAM1ITGALDRD1CYP3A4
SCHEMBL9913796 0.91 DRD1 (0.36) ITGB2ICAM1ITGALDRD1CYP3A4
SCHEMBL21201776 0.89 DRD1 (0.32) ITGB2ICAM1ITGALDRD1
SCHEMBL19928557 0.88 DRD1 (0.36) ITGB2ICAM1ITGALDRD1CYP3A4
SCHEMBL18979231 0.87 DRD1 (0.35) ITGB2ICAM1ITGALDRD1CYP3A4
SCHEMBL3136653 0.86 ABCG2 (0.46) ITGB2ICAM1ITGALDRD1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160257687-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION 2016-09-08 — — US disclosed
US-20160257687-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION 2016-09-08 — — US disclosed
US-9403766-B2 Intermediates for producing NEP inhibitors or prodrugs thereof NOVARTIS AG (CH) 2016-08-02 — — US disclosed
WO-2006100568-A1 PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 — — WO disclosed
WO-2006060225-A2 PROCESS FOR ASYMMETRIC SYNTHESIS OF HEXAHYDROPYRIMIDO[1,2-A] AZEPINE-2-CARBOXAMIDES AND RELATED COMPOUNDS MERCK & CO., INC. (US) 2006-06-08 — — WO disclosed
WO-2006008612-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2006-01-26 — — WO disclosed
EP-1497245-A1 PROCESS FOR THE PREPARATION OF NONRACEMIC SYN-1-(4-HYDROXY-PHENYL)-2-(4-HYDROXY-4-PHENYL.PIPERIDIN-1Yl)-1-PROPANOL COMPOUNDS DSM Pharmaceuticals, Inc. (US) 2005-01-19 — — EP disclosed
US-6806378-B2 CATALYST SYSTEM AND A PROCESS FOR THE PREPARATION OF A NONRACEMIC CHIRAL ALCOHOL BY HYDROGENATION OF A KETONE USING THE CATALYST SYSTEM, WHEREIN THE CATALYST SYSTEM COMPRISES RUTHENIUM, A NONRACEMIC CHIRAL DIPHOSPHINE LIGAND, AN DSM N.V. (NL) 2004-10-19 — — US disclosed
US-6743921-B2 HYDROGENATION OF A CORRESPONDING NONRACEMIC 1-(4-BENZOXY PHENYL)-2-(4-HYDROXY-4-PHENYL-PIPERIDIN-1-YL)-1-PROPANONE USING A CATALYST SYSTEM COMPRISING RUTHENIUM, A NONRACEMIC DIPHOSPHINE LIGAND, A BIDENTATE AMINE LIGAND SELECTED FROM DSM CATALYTICA PHARMACEUTICALS, INC. 2004-06-01 — — US disclosed
US-20030171213-A1 Process for preparing nonracemic chiral alcohols DSM N.V. (NL) 2003-09-11 — — US disclosed
US-20030144521-A1 Process for the preparation of nonracemic syn-1-(4-hydroxy-phenyl)-2-(4-hydroxy-4-phenyl -piperidin-1-yl)-1-propanol compounds DSM CATALYTICA PHARMACEUTICALS, INC. 2003-07-31 — — US disclosed
WO-2003062180-A1 PROCESS FOR THE PREPARATION OF NONRACEMIC SYN-1-(4-HYDROXY-PHENYL)-2-(4-HYDROXY-4-PHENYL-PIPERIDIN-1-YL)-1-PROPANOL COMPOUNDS DSM N.V. (NL) 2003-07-31 — — WO disclosed
WO-2003062181-A1 PROCESS FOR THE PREPARATION OF NONRACEMIC SYN-1-(4-HYDROXY-PHENYL)-2-(4-HYDROXY-4-PHENYL.PIPERIDIN-1Yl)-1-PROPANOL COMPOUNDS DSM PHARMACEUTICALS, INC. (US) 2003-07-31 — — WO 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 (5 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-20160257687-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 ITGB2 4133/4885ICAM1 3193/4885ITGAL 3858/4885
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-20030144521-A1 Process for the preparation of nonracemic syn-1-(4-hydroxy-phenyl)-2-(4-hydroxy-4-phenyl -piperidin-1-yl)-1-propanol compounds SYNJ1, HRH4, HRH3 ITGB2 2254/4885ICAM1 496/4885ITGAL 2904/4885

“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.