SCHEMBL17290737

SCHEMBL17290737

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
AR P10275 2/20 0.40
HTT P42858 3/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
TAS1R3 Q7RTX0 4/20 0.36
TAS1R1 Q7RTX1 4/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL25193546 0.82 MEN1 (0.54) MEN1KMT2AHTTRAB9ALMNA
SCHEMBL17291047 0.82 MEN1 (0.48) MEN1KMT2AARMAPK1MAPT
SCHEMBL17290700 0.81 MEN1 (0.45) MEN1KMT2ATAS1R3TAS1R1TSHR
SCHEMBL21882576 0.81 MAPT (0.51) MEN1KMT2AARHTTRAB9A
SCHEMBL28278468 0.81 MAPT (0.51) MEN1KMT2AARHTTRAB9A
SCHEMBL10066834 0.81 AR (0.40) MEN1KMT2AARHTTRAB9A
SCHEMBL6721992 0.81 PLOD2 (0.55) ARRAB9ATAS1R3TAS1R1MAPT
SCHEMBL29966893 0.80 PTPN1 (0.50) ARMAPTALDH1A1HPGDTSHR
SCHEMBL6113125 0.80 PTPN1 (0.50) ARMAPTALDH1A1HPGDTSHR
SCHEMBL17290718 0.80 MEN1 (0.41) MEN1KMT2AARHTTRAB9A

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 4665/4885AR 1433/4885

“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.