SCHEMBL10101323

SCHEMBL10101323

Cc1ccc2c(c1)SC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENTPD5 O75356 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
CYP3A4 P08684 4/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIK3CB P42338 1/20 0.35
USP2 O75604 2/20 0.34
TP53 P04637 2/20 0.34
HSP90AA1 P07900 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
RPS6KA5 O75582 1/20 0.34
PTPN1 P18031 2/20 0.32

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
SCHEMBL386764 0.86 ENTPD5 (0.51) ENTPD5TRPV1CYP3A4ALDH1A1CYP2C9
SCHEMBL2035426 0.84 POLA1 (0.42) ENTPD5CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL10101314 0.80 TRPV1 (0.40) ENTPD5TRPV1CYP3A4ALDH1A1CYP2C9
SCHEMBL10101121 0.78 TRPV1 (0.49) ENTPD5TRPV1CYP3A4ALDH1A1CYP2C9
SCHEMBL10101363 0.78 PIK3CB (0.39) ENTPD5TRPV1CYP3A4ALDH1A1CYP2C9
SCHEMBL10101120 0.76 PIK3CB (0.40) ENTPD5TRPV1CYP3A4ALDH1A1CYP2C9
SCHEMBL10101263 0.75 POLA1 (0.43) ENTPD5TRPV1CYP3A4ALDH1A1CYP2C9
SCHEMBL10101257 0.74 POLA1 (0.44) ENTPD5CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL10101140 0.73 PIK3CB (0.43) ENTPD5TRPV1CYP3A4ALDH1A1CYP2C9
SCHEMBL10101343 0.73 CYP3A4 (0.37) ENTPD5TRPV1CYP3A4ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101605-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC. (CA) 2012-01-24 US disclosed
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 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-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PTPRO, PPM1G ENTPD5 750/4885TRPV1 3145/4885CYP3A4 4358/4885

“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.