SCHEMBL17290331

SCHEMBL17290331

CC(=O)C(C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ACP3 P15309 1/20 0.47
SRC P12931 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1D P25100 1/20 0.40
PARP1 P09874 1/20 0.39
GPR139 Q6DWJ6 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 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
SCHEMBL9492209 0.89 SRC (0.58) MEN1KMT2AACP3SRCALDH1A1
SCHEMBL27894375 0.86 ACP3 (0.45) MEN1KMT2AACP3ALDH1A1HPGD
SCHEMBL27780341 0.84 MEN1 (0.50) MEN1KMT2AACP3SRCALDH1A1
SCHEMBL349034 0.84 MEN1 (0.50) MEN1KMT2AACP3SRCTRPM8
SCHEMBL8538808 0.82 MEN1 (0.49) MEN1KMT2AACP3SRCALDH1A1
SCHEMBL17291147 0.81 KMT2A (0.53) MEN1KMT2AACP3HPGDSLC6A2
SCHEMBL28900487 0.80 MEN1 (0.41) MEN1KMT2AACP3ALDH1A1HPGD
SCHEMBL22917154 0.79 ACP3 (0.47) MEN1KMT2AACP3ALDH1A1HPGD
SCHEMBL22917201 0.79 MEN1 (0.53) MEN1KMT2AACP3ALDH1A1HPGD
SCHEMBL22265087 0.79 HDAC4 (0.49) MEN1KMT2ASRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4665/4885ACP3 1143/4885

“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.