SCHEMBL3540671

SCHEMBL3540671

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.38
GAA P10253 2/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ADRA2C P18825 2/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR6 P50406 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
SCHEMBL6623865 0.89 PSIP1 (0.35) PSIP1GAAKDM4EALDH1A1CYP2C9
SCHEMBL3857912 0.87 MMP1 (0.36)
SCHEMBL11487808 0.86 MMP1 (0.38)
SCHEMBL5695327 0.86 MMP1 (0.38)
SCHEMBL159759 0.86 PSIP1 (0.46) PSIP1GAAHSD11B1
SCHEMBL7709103 0.81 CA1 (0.32) HTR6LOXL2
SCHEMBL3982652 0.81 CA2 (0.40) RIPK1HSD11B1
SCHEMBL9771529 0.79 TSHR (0.30)
SCHEMBL483161 0.78 CA12 (0.43) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL21491104 0.78 PSIP1 (0.32) PSIP1ALDH1A1HSD17B10

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 40 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-2976340-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 EP claimed
WO-2014146490-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO claimed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US claimed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US claimed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP claimed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
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 disclosed
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 disclosed
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 disclosed
CN-114075227-A Pyrazole boronic acid compounds, pharmaceutical compositions comprising the same and uses thereof 北京大学 2022-02-22 CN disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 EP disclosed
US-6040331-A Nerve cell protective agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-21 US disclosed
EP-0858996-A1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed
EP-0362870-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-04-11 EP disclosed
EP-0281118-A2 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-09-07 EP disclosed
US-4260776-A PYRAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 PSIP1 3743/4885GAA 171/4885KDM4E 3511/4885
US-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF PSMB11, PSMB7, PSMC5 PSIP1 2134/4885GAA 275/4885KDM4E 2668/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 PSIP1 3647/4885GAA 163/4885KDM4E 3382/4885

“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.