SCHEMBL7448575

SCHEMBL7448575

O=C(O)C(Br)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
ACP3 P15309 1/20 0.51
PDPK1 O15530 1/20 0.51
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
CNR2 P34972 1/20 0.47
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
SRD5A2 P31213 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
HSD11B1 P28845 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PTPN1 P18031 1/20 0.44
KIF11 P52732 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL10465540 0.84 GSK3B (0.59) GSK3BACP3PDPK1CES2CES1
SCHEMBL9280969 0.82 GSK3B (0.52) GSK3BACP3PDPK1CES2CES1
SCHEMBL839084 0.82 CES2 (0.53) GSK3BACP3PDPK1CES2CES1
SCHEMBL3107743 0.80 GSK3B (0.64) GSK3BACP3PDPK1CES2CES1
SCHEMBL3312220 0.80 CES2 (0.47) PDPK1CES2AKR1C3AKR1C2
SCHEMBL2657735 0.80 NR1H4 (0.47) CES2CES1SRD5A2AKR1C3AKR1C2
SCHEMBL7436009 0.79 CES2 (0.55) ACP3CES2SRD5A2AKR1C3AKR1C2
SCHEMBL30015679 0.79 CES2 (0.55) ACP3CES2SRD5A2AKR1C3AKR1C2
SCHEMBL3130953 0.79 CES2 (0.53) GSK3BACP3PDPK1CES2CES1
SCHEMBL9047892 0.79 SRC (0.54) GSK3BACP3PDPK1CES2CES1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023155873-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF IN PHARMACEUTICS 江苏恒瑞医药股份有限公司 2023-08-24 WO disclosed
EP-3197900-B1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME (US) 2020-02-12 EP disclosed
US-9969752-B2 Inhibitors of HIF prolyl hydroxylase MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
CN-104395324-B Mi Zuo Bing oxadiazoles and imidazo thiadiazoles derivative 阿瑞斯贸易股份有限公司 2017-09-12 CN disclosed
US-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-17 US disclosed
EP-3197900-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 EP disclosed
CN-106986832-A Vegfr3 inhibitor 癌症治疗合作研究中心有限公司 2017-07-28 CN disclosed
WO-2016049099-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO disclosed
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 US disclosed
EP-0482080-B1 SMALL CYCLIC PLATELET AGGREGATION INHIBITORS GENENTECH INC (US) 1997-03-26 EP disclosed
EP-0555328-A1 PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1993-08-18 EP disclosed
WO-1992007870-A1 PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1992-05-14 WO disclosed
US-4307232-A Preparation of dialkyl- and diarylphosphonoalkanoic acids and substituted acrylic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-22 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 (3 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-20150225377-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR GSK3B 283/4885ACP3 1554/4885PDPK1 443/4885
US-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 GSK3B 1132/4885ACP3 905/4885PDPK1 1038/4885
US-20140080798-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR GSK3B 294/4885ACP3 1144/4885PDPK1 226/4885

“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.