SCHEMBL2006540

SCHEMBL2006540

O=C(O)Cc1ccc(I)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.43
CXCL8 P10145 2/20 0.41
PTGS2 P35354 1/20 0.40
TSHR P16473 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAP2K1 Q02750 1/20 0.39
SRC P12931 1/20 0.39
CYP26A1 O43174 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38
CYP1A2 P05177 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL31018263 0.81 FFAR1 (0.56) AKR1B1FFAR1FFAR4
SCHEMBL503325 0.80 TSHR (0.53) AKR1B1CXCL8TSHR
SCHEMBL29459931 0.80 TSHR (0.53) AKR1B1CXCL8TSHR
SCHEMBL4517422 0.79 AKR1B1 (0.40) AKR1B1MAP2K2MAP2K1
SCHEMBL27855541 0.78 AKR1B1 (0.36) AKR1B1MAP2K2MAP2K1
Bromide SCHEMBL8397120 0.78 TSHR (0.51) CXCL8TSHR
SCHEMBL30523650 0.78 CAMK2A (0.51) AKR1B1TSHRCAMK2A
SCHEMBL1142805 0.78 CAMK2A (0.51) AKR1B1TSHRCAMK2A
SCHEMBL2335889 0.77 PTPRC (0.46) AKR1B1MAP2K2MAP2K1SRCCYP1A2
SCHEMBL7612980 0.77 SRC (0.46) AKR1B1PTGS2SRCCYP1A2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230045135-A1 TEDIZOLID INTERMEDIATE AND EFFICIENT PREPARATION METHOD THEREOF NANJING CHEMPION BIOTECHNOLOGY CO., LTD. (CN) 2023-02-09 US disclosed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
CN-110894196-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors 百时美-施贵宝控股爱尔兰无限公司 2020-03-20 CN disclosed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-30 US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 US disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
EP-3052495-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2016-08-10 EP disclosed
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 US disclosed
US-6380256-B1 FOR THERAPY OF DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2002-04-30 US disclosed
US-6369225-B1 ENZYME INHIBITORS ALLERGAN SALES, INC. 2002-04-09 US disclosed
US-6369261-B1 CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS ALLERGAN SALES, INC. 2002-04-09 US disclosed
WO-2002026727-A2 METHODS OF PROVIDING AND USING COMPOUNDS (RETINOIDS) HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-04-04 WO disclosed
US-6359135-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2002-03-19 US disclosed
WO-2002018361-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-03-07 WO disclosed
US-6313107-B1 ADMINISTERING TO MAMMAL TO TREAT DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2001-11-06 US disclosed
US-6303785-B1 SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES ALLERGAN SALES, INC. 2001-10-16 US disclosed
US-6291677-B1 FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES AND KERATINIZATION AND HYPERPROLIFERATIVE DISORDERS OF SKIN ALLERGAN SALES, INC. 2001-09-18 US disclosed
US-6252090-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2001-06-26 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 (6 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-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 AKR1B1 3224/4885CXCL8 1095/4885PTGS2 2760/4885
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 AKR1B1 3137/4885CXCL8 1067/4885PTGS2 2866/4885
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 AKR1B1 3432/4885CXCL8 4840/4885PTGS2 1534/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 AKR1B1 3224/4885CXCL8 1095/4885PTGS2 2760/4885
US-20230045135-A1 TEDIZOLID INTERMEDIATE AND EFFICIENT PREPARATION METHOD THEREOF DNMT3A, DNMT1, TET2 AKR1B1 4339/4885CXCL8 4322/4885PTGS2 2326/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 AKR1B1 3137/4885CXCL8 1067/4885PTGS2 2866/4885

“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.