SCHEMBL9972907

SCHEMBL9972907

Cc1sc2c(c1C(C)(C)C)c(=O)n(C)c(=O)n2C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
TRPA1 O75762 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ADORA2B P29275 1/20 0.30

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
SCHEMBL799433 0.78 ADORA2B (0.45) ERCC5FEN1ALDH1A1ADORA2B
SCHEMBL13834710 0.75 ERCC5 (0.33) ERCC5FEN1TRPA1KDM4EALDH1A1
SCHEMBL9972877 0.72 KMT2A (0.33) ERCC5FEN1TRPA1KDM4EALDH1A1
SCHEMBL9972886 0.69 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL13834835 0.69 TRPA1 (0.38) TRPA1ALDH1A1ADORA2B
SCHEMBL9972891 0.68 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL13835019 0.68 TRPA1 (0.37) TRPA1KDM4EALDH1A1ADORA2B
SCHEMBL13834829 0.68 TRPA1 (0.46) ERCC5FEN1TRPA1ALDH1A1ADORA2B
SCHEMBL13175034 0.67 TRPA1 (0.45) ERCC5FEN1TRPA1KDM4EALDH1A1
SCHEMBL12611139 0.66 ADRA2C (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-06-21 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 (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-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 ERCC5 3319/4885FEN1 4573/4885TRPA1 1/4885

“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.