SCHEMBL2158482

SCHEMBL2158482

CCCCc1ccc(C(=O)N(C)c2csc(-c3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.50
RARB P10826 5/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL2158030 0.81 CNR1 (0.52) HSD17B1HSD17B2HPGD
SCHEMBL2157847 0.79 HSD17B1 (0.50) HSD17B1HSD17B2
SCHEMBL2247695 0.78 RARB (0.46) TRPV1RARBGAAHPGD
SCHEMBL2158629 0.76 HSD17B1 (0.47) HSD17B1HSD17B2HPGD
SCHEMBL3809035 0.76 TRPV1 (0.42) TRPV1RARBGAAHPGD
SCHEMBL2157714 0.76 ACLY (0.52) HSD17B1HSD17B2HPGD
SCHEMBL2158473 0.74 HSD17B2 (0.54) HSD17B1HSD17B2GAAHPGD
SCHEMBL2157643 0.74 HSD17B2 (0.46) HSD17B1HSD17B2
SCHEMBL846402 0.74 TRPV1 (0.62) TRPV1
SCHEMBL11674054 0.72 TRPV1 (0.54) TRPV1RARBGAAHPGDTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS TRPV1 3245/4885RARB 1559/4885HSD17B1 740/4885

“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.