SCHEMBL1472954

SCHEMBL1472954

Cc1cc(C(=O)O)sc1Br

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.63
KDM4E B2RXH2 3/20 0.63
MAPT P10636 2/20 0.63
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 2/20 0.63
KMT2A Q03164 2/20 0.63
ALOX15 P16050 1/20 0.50
GPR35 Q9HC97 4/20 0.43
HCAR2 Q8TDS4 1/20 0.41
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GSK3B P49841 1/20 0.38
BCL2L1 Q07817 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL45690 0.83 MAPT (0.42) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL261464 0.82 CSNK2A2 (0.45) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL1630492 0.81 KDR (0.42) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL2651515 0.80 DAO (0.41) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL15988677 0.79 GSK3B (0.48) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL24322051 0.78 MAPT (0.38) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL14523581 0.78 DAO (0.38) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL22870146 0.78 KDM4E (0.54) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL12294979 0.78 GSK3B (0.67) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL835069 0.77 DAO (1.00) DAOKDM4EMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970342-B1 SUBSTITUTED SILAXANTHENIUM RED TO NEAR-INFRARED FLUOROCHROMES FOR IN VITRO AND IN VIVO IMAGING AND DETECTION VISEN MEDICAL INC (US) 2024-01-24 EP disclosed
EP-3466946-B1 THIOPHENE, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL APPLICATION OF SAME DONGBAO PURPLE STAR HANGZHOU BIOPHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
CN-110294746-B Novel ASK1 inhibitor and application thereof 山东轩竹医药科技有限公司 2023-01-31 CN disclosed
WO-2022173849-A1 (HETERO)ARYLAMINO-CYCLOHEXYL-SULFONYL DERIVATIVES AS CCR6 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-08-18 WO disclosed
CN-109563094-B (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-03-18 CN disclosed
CN-105073761-B Substituted silaxanthene cationic red to near infrared fluorescent dyes for in vitro and in vivo imaging and detection 文森医学公司 2020-10-20 CN disclosed
US-10654849-B2 (Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
EP-3468971-B1 NEW (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-02-19 EP disclosed
US-20190144449-A1 (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-05-16 US disclosed
EP-3468971-A1 NEW (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2019-04-17 EP disclosed
US-5739141-A Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds AGOURON PHARMACEUTICALS, INC. (US) 1998-04-14 US disclosed
US-5726312-A Methods for preparing antiproliferative 5-substituted pyrimidone compounds AGOURON PHARMACEUTICALS, INC. (US) 1998-03-10 US disclosed
US-5646141-A THIENYLALKYLATED DERIVATIVES OF PYRIDO(2,3-D)-PYRIMIDINE, PYRIMIDO(5,4-6)-(1,4)THIAZINE OR PYRIMIDO(5,4-6)-(1,4)SELENAZINE AGOURON PHARMACEUTICALS, INC. (US) 1997-07-08 US disclosed
EP-0773943-A1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed
US-5608082-A GARFT = THE ENZYME GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE AGOURON PHARMACEUTICALS, INC. (US) 1997-03-04 US disclosed
WO-1996003406-A1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-02-08 WO disclosed
EP-0674516-A4 1995-10-25 EP disclosed
EP-0674516-A1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1995-10-04 EP disclosed
WO-1994013295-A1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1994-06-23 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 (2 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-20190144449-A1 (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, BCL2, CCNK DAO 4580/4885KDM4E 1744/4885MAPT 3232/4885
US-10654849-B2 (Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, BCL2, CCNK DAO 4580/4885KDM4E 1744/4885MAPT 3232/4885

“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.