SCHEMBL10101338

SCHEMBL10101338

COc1cc(C)cc2c1[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CS2(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.41
PIK3CA P42336 2/20 0.37
PIK3CG P48736 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
ALOX15 P16050 3/20 0.36
ALOX12 P18054 3/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
IDO1 P14902 1/20 0.33
CETP P11597 3/20 0.32
PLA2G2A P14555 2/20 0.32
TRPM2 O94759 1/20 0.32
LTB4R Q15722 1/20 0.32
KIF11 P52732 2/20 0.32
ENTPD5 O75356 1/20 0.31
CYP19A1 P11511 1/20 0.31
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL10101126 0.89 PIK3CB (0.39) PIK3CBPIK3CAPIK3CGTRPV1ALOX15
SCHEMBL10101153 0.88 PIK3CB (0.42) PIK3CBPIK3CAPIK3CGTRPV1ALOX15
SCHEMBL10101361 0.85 PIK3CB (0.40) PIK3CBPIK3CAPIK3CGALOX15ALOX12
SCHEMBL10101164 0.85 PIK3CB (0.45) PIK3CBPIK3CAPIK3CGALOX15ALOX12
SCHEMBL10101249 0.85 PIK3CB (0.40) PIK3CBPIK3CAPIK3CGALOX15ALOX12
SCHEMBL10101124 0.84 TRPV1 (0.47) PIK3CBPIK3CAPIK3CGTRPV1ALOX15
SCHEMBL10101165 0.83 PIK3CB (0.39) PIK3CBPIK3CAPIK3CGALOX15ALOX12
SCHEMBL10101365 0.83 PIK3CB (0.39) PIK3CBPIK3CAPIK3CGTRPV1ALOX15
SCHEMBL10101352 0.82 PIK3CB (0.54) PIK3CBPIK3CAPIK3CGTRPV1ALOX12
SCHEMBL10101349 0.82 PIK3CB (0.40) PIK3CBTRPV1ALDH1A1CYP3A4CYP2C9

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 PIK3CB 98/4885PIK3CA 128/4885PIK3CG 125/4885

“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.