SCHEMBL17290700

SCHEMBL17290700

COC(=O)CC(=O)c1ccc(SC)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NOTUM Q6P988 1/20 0.40
EPHX2 P34913 3/20 0.37
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
TAS1R2 Q8TE23 2/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
DDR1 Q08345 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTPN1 P18031 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL21776928 0.83 KDR (0.48) MEN1KMT2ANOTUML3MBTL1
SCHEMBL3493689 0.82 NOTUM (0.59) MEN1KMT2ANOTUMTDP1L3MBTL1
SCHEMBL17290737 0.81 MEN1 (0.48) MEN1KMT2ATAS1R3TAS1R1TSHR
SCHEMBL17291047 0.78 MEN1 (0.48) MEN1KMT2ACYP1A2CYP2C19TSHR
SCHEMBL17290750 0.77 KIF11 (0.47) MEN1KMT2ANOTUML3MBTL1
SCHEMBL9859293 0.77 MEN1 (0.47) MEN1KMT2ANOTUMEPHX2CYP1A2
SCHEMBL12648927 0.73 TAS1R3 (0.46) NOTUMTAS1R3TAS1R1TAS1R2THRA
SCHEMBL830420 0.72 PTPN1 (0.62) MEN1KMT2APTPN1TDP1
SCHEMBL3328716 0.71 CCR2 (0.47) MEN1KMT2AL3MBTL1
SCHEMBL449754 0.71 NPSR1 (0.57) MEN1KMT2ATAS1R3TAS1R1

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 MEN1 3991/4885KMT2A 4665/4885NOTUM 1785/4885

“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.