SCHEMBL5319294

SCHEMBL5319294

CC(=O)c1ccc(SC(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.61
LMNA P02545 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 3/20 0.46
MAPT P10636 6/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
HSD17B1 P14061 1/20 0.43
HTT P42858 1/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL10873009 0.94 HPGD (0.55) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL10871420 0.94 HPGD (0.55) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL10870757 0.94 HPGD (0.73) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL10872144 0.89 HPGD (0.50) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL10871883 0.89 HPGD (0.50) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL10874045 0.89 HPGD (0.66) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL10870481 0.89 KMT2A (0.66) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL10871424 0.88 LMNA (0.48) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL1021140 0.83 HTT (0.59) HPGDLMNAALDH1A1MAPK1MAPT
SCHEMBL2553786 0.82 HPGD (0.55) HPGDLMNAL3MBTL1ALDH1A1MAPK1

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 10 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
WO-2007114902-A2 ALKYLTHIOBENZYLPIPERIDINE COMPOUNDS H.LUNDBECK A/S (DK) 2007-10-11 WO disclosed
EP-0235345-B1 INDENE COMPOUNDS Taiyo Pharmaceutical Industry Co., Ltd. (JP) 1992-10-14 EP disclosed
US-4876345-A VASODILATORS, CALCIUM ANTAGONISTS; ANGINA PECTORIS TAIYO PHARMACEUTICAL INDUSTRY CO., LTD. (JP) 1989-10-24 US disclosed
US-4762927-A ANGINA PECTORIS TAIYO PHARMACEUTICAL INDUSTRY CO., LTD. (JP) 1988-08-09 US disclosed
EP-0235345-A1 Indene compounds Taiyo Pharmaceutical Industry Co., Ltd. (JP) 1987-09-09 EP 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 HPGD 19/4885LMNA 2480/4885L3MBTL1 4438/4885

“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.