SCHEMBL159759

SCHEMBL159759

CCS(=O)(=O)c1[c]cccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.46
GAA P10253 1/20 0.33
HSD11B1 P28845 1/20 0.33
FAAH O00519 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
ELANE P08246 1/20 0.31
PRTN3 P24158 1/20 0.31
PRSS3 P35030 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL3540671 0.86 PSIP1 (0.38) PSIP1GAAHSD11B1
SCHEMBL6623865 0.83 PSIP1 (0.35) PSIP1GAA
SCHEMBL21491104 0.83 PSIP1 (0.32) PSIP1FAAHPRSS1PRSS2ELANE
SCHEMBL3857912 0.81 MMP1 (0.36) FAAH
SCHEMBL11562313 0.81 HSD11B1 (0.32) PSIP1HSD11B1FAAHPRSS1PRSS2
SCHEMBL1014627 0.80 ALDH1A1 (0.33) PSIP1
SCHEMBL11565035 0.80 PSIP1 (0.36) PSIP1HSD11B1FAAHPRSS1PRSS2
SCHEMBL10695322 0.80 F2 (0.33) PSIP1PRSS1PRSS2PRSS3
SCHEMBL11487808 0.80 MMP1 (0.38) FAAH
SCHEMBL5695327 0.80 MMP1 (0.38) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF BEIJING SONGRUN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-10-12 US claimed
CN-114075227-B Pyrazole boric acid compound, pharmaceutical composition containing pyrazole boric acid compound and application of pyrazole boric acid compound and pharmaceutical composition 北京嵩润医药科技有限责任公司 2023-07-04 CN claimed
EP-4201941-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF Beijing Songrun Pharmaceutical Technology Co., Ltd. (CN) 2023-06-28 EP claimed
CN-114075227-A Pyrazole boronic acid compounds, pharmaceutical compositions comprising the same and uses thereof 北京大学 2022-02-22 CN claimed
EP-3290420-B1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF UNIV XIAMEN (CN) 2020-12-09 EP claimed
US-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF XIAMEN UNIVERSITY (CN) 2018-11-01 US claimed
EP-3290420-A1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Xiamen University (CN) 2018-03-07 EP claimed
EP-3019480-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER Agios Pharmaceuticals, Inc. (US) 2016-05-18 EP claimed
WO-2015006591-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. (US) 2015-01-15 WO claimed
CN-104114169-A Combination of CRTH2 antagonist and a proton pump inhibitor for the treatment of eosinophilic esophagitis ATOPIX THERAPEUTICS LTD 2014-10-22 CN claimed
US-7226926-B2 8-fluoroimidazo 1,2-a pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2007-06-05 US claimed
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP claimed
EP-1301512-A2 BICYCLIC HYDANTOIN DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2003-04-16 EP claimed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO claimed
WO-2002008227-A2 BICYCLIC HYDANTOIN DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-01-31 WO claimed
EP-0643707-A1 THIADIAZOLINES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1995-03-22 EP claimed
WO-1993024474-A1 THIADIAZOLINES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1993-12-09 WO claimed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
US-3984397-A CYCLIZATION FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-10-05 US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 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 (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-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF TPMT, DHPS, TYMP PSIP1 214/4885GAA 1337/4885HSD11B1 865/4885
US-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF PSMB11, PSMB7, PSMC5 PSIP1 2134/4885GAA 275/4885HSD11B1 782/4885

“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.