SCHEMBL16181502

SCHEMBL16181502

CC(CO)CSCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.46
ACE P12821 2/20 0.46
CYP2C19 P33261 1/20 0.43
METAP2 P50579 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PRMT1 Q99873 1/20 0.39
S100A4 P26447 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL20408407 0.88 ACE (0.46) ACECYP2C19METAP2PPARGPPARA
SCHEMBL9906423 0.82 ACE (0.43) TRPA1ACECYP2C19METAP2PPARG
SCHEMBL9795791 0.81 TRPA1 (0.43) TRPA1ACECYP2C19PPARGPPARA
SCHEMBL10188351 0.81 TRPA1 (0.47) TRPA1ACECYP2C19METAP2PPARG
SCHEMBL6991605 0.80 CYP2C19 (0.51) ACECYP2C19METAP2PPARGPPARA
SCHEMBL10725573 0.80 ACE (0.48) TRPA1ACECYP2C19METAP2PPARG
SCHEMBL9906029 0.79 ACE (0.46) ACECYP2C19METAP2PPARGPPARA
SCHEMBL10974704 0.79 ACE (0.41) ACECYP2C19METAP2CYP1A2CYP3A4
SCHEMBL6153274 0.78 CYP2C19 (0.48) TRPA1ACECYP2C19PPARGPPARA
SCHEMBL1236226 0.78 CYP2D6 (0.47) ACECYP2C19PPARGPPARACYP1A2

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-9505783-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-11-29 US disclosed
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-01-07 US disclosed
US-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2015-01-29 US disclosed
US-8865907-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2014-10-21 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 (2 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-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 TRPA1 4163/4885ACE 354/4885CYP2C19 31/4885
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 TRPA1 4033/4885ACE 385/4885CYP2C19 26/4885

“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.