SCHEMBL17290658

SCHEMBL17290658

Cc1c(-c2ccccc2C(F)(F)F)nn(C)c1O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.51
TRPA1 O75762 1/20 0.41
CRHR1 P34998 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL31617287 0.82 HSD11B1 (0.51) HSD11B1TRPA1CRHR1
SCHEMBL17290482 0.80 MBNL1 (0.41) HSD11B1
SCHEMBL17291027 0.79 TDP2 (0.39) CYP1A2CYP2C19
SCHEMBL17290562 0.78 HSD11B1 (0.48) HSD11B1
SCHEMBL17290723 0.76 HSD11B1 (0.47) HSD11B1CRHR1
SCHEMBL17290320 0.74 ALDH1A1 (0.47)
SCHEMBL28709406 0.73 HSD11B1 (0.43) HSD11B1CYP1A2CYP2C19
SCHEMBL27699991 0.73 HSD17B10 (0.40) HSD11B1CYP1A2CYP2C19
SCHEMBL31280165 0.72 HSD11B1 (0.44) HSD11B1TRPA1
SCHEMBL17290306 0.72 KIF11 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148972-B1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2019-08-21 EP disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 US 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 (1 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-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 HSD11B1 935/4885TRPA1 2174/4885CRHR1 4093/4885

“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.