SCHEMBL3716259

SCHEMBL3716259

COc1c[c]ccc1S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HTR6 P50406 1/20 0.34
MAPK1 P28482 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 1/20 0.31
EED O75530 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PKM P14618 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
SCHEMBL1791418 0.85 SMN1; SMN2 (0.50) SMN1; SMN2HTR6MAPK1TRPV4POLB
SCHEMBL6069951 0.83 CA2 (0.46) CA12CA1CA2CA9PKM
SCHEMBL27177203 0.83 ELANE (0.39) SMN1; SMN2HTR6MAPK1TRPV4POLB
SCHEMBL10405334 0.83 ALDH1A1 (0.37) SMN1; SMN2HTR6MAPK1TRPV4POLB
SCHEMBL27566617 0.81 SOAT1 (0.34) SMN1; SMN2HTR6POLBTSHRL3MBTL1
SCHEMBL5447959 0.80 TSHR (0.44) SMN1; SMN2MAPK1POLBTSHRKDM4E
SCHEMBL5451015 0.78 HTR6 (0.65) HTR6PKMKDM4EUSP2GAA
SCHEMBL6199512 0.77 L3MBTL1 (0.33) SMN1; SMN2L3MBTL1
SCHEMBL9740475 0.76 PTPN1 (0.35) SMN1; SMN2HTR6MAPK1POLBTSHR
SCHEMBL1448807 0.74 L3MBTL1 (0.44) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1934111-A Heteroaryl-fused pyrazolo derivatives ROCHE PALO ALTO LLC (CH) 2007-03-21 CN claimed
CN-108473439-B Pyrazolone derivatives as nitroxyl donors 卡尔迪奥克斯尔制药公司 2022-03-15 CN disclosed
US-10723704-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
EP-3148972-B1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2019-08-21 EP disclosed
US-10292973-B2 Covalent irreversible inhibitors of USP7 as anti-cancer agents PROGENRA, INC. (US) 2019-05-21 US disclosed
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2018-11-08 US disclosed
WO-2018160944-A1 AZOLE COMPOUNDS AS UBIQUITIN-SPECIFIC PROTEASE USP7 INHIBITORS PROGENRA, INC. (US) 2018-09-07 WO disclosed
EP-3365328-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals, Inc. (US) 2018-08-29 EP disclosed
US-9717717-B1 Methods of treating cancer through the inhibition of USP7 and immune system modulation PROGENRA, INC. (US) 2017-08-01 US disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
WO-2017070081-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-27 WO disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 EP disclosed
WO-2017023684-A2 COVALENT IRREVERSIBLE INHIBITORS OF USP7 AS ANTI-CANCER AGENTS PROGENRA, INC. (US) 2017-02-09 WO disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 WO disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed
CN-1934111-A Heteroaryl-fused pyrazolo derivatives ROCHE PALO ALTO LLC (CH) 2007-03-21 CN disclosed
US-6043263-A (2,3-dihydrobenzofuranyl)-thiazoles as phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-28 US disclosed
WO-1998008844-A1 THIAZOLE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE-IV BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 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 (4 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-10723704-B2 Pyrazolone derivatives as nitroxyl donors TNNI3, PFKP, NOX5 SMN1; SMN2 1078/4885HTR6 1226/4885MAPK1 3982/4885
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 SMN1; SMN2 1078/4885HTR6 1226/4885MAPK1 3982/4885
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 SMN1; SMN2 1078/4885HTR6 1226/4885MAPK1 3982/4885
US-10292973-B2 Covalent irreversible inhibitors of USP7 as anti-cancer agents USP7, USP2, USP28 SMN1; SMN2 4705/4885HTR6 4595/4885MAPK1 2689/4885

“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.