SCHEMBL17290281

SCHEMBL17290281

COC(=O)C(C)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ TRPV4 Q9HBA0 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
SCHEMBL17290302 0.88 FGFR1 (0.39) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL18770546 0.85 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2GAAMAPTTSHR
SCHEMBL17290620 0.83 PTGS2 (0.43) —
SCHEMBL65856 0.77 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL10752471 0.77 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL17290742 0.75 TAS2R14 (0.42) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL10538105 0.74 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2MAPTTSHRL3MBTL1
SCHEMBL18082660 0.74 PLK1 (0.56) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL27843891 0.74 ADRB2 (0.45) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL7735376 0.73 KMT2A (0.53) ALDH1A1SMN1; SMN2GAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723704-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-07-28 — — US disclosed
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2018-11-08 — — US disclosed
EP-3365328-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals, Inc. (US) 2018-08-29 — — EP 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-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

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-10723704-B2 Pyrazolone derivatives as nitroxyl donors TNNI3, PFKP, NOX5 ALDH1A1 1883/4885SMN1; SMN2 1078/4885GAA 1354/4885
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 ALDH1A1 1883/4885SMN1; SMN2 1078/4885GAA 1354/4885
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 ALDH1A1 1883/4885SMN1; SMN2 1078/4885GAA 1354/4885

“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.

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