SCHEMBL10101285

SCHEMBL10101285

CC1(C)CCC[C@]2(C)[C@H]3CS(=O)(=O)c4cc(C(=O)N5CCCCC5)cc(O)c4[C@]3(C)CC[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.43
CYP19A1 P11511 2/20 0.35
HPGD P15428 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
IDO1 P14902 2/20 0.32
ENTPD5 O75356 1/20 0.32
S1PR2 O95136 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CG P48736 2/20 0.32
SERPINE1 P05121 1/20 0.32
L3MBTL3 Q96JM7 4/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 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
SCHEMBL10101171 0.94 PIK3CB (0.42) PIK3CBCYP19A1MAPKAPK2TRPV1IDO1
SCHEMBL10101181 0.92 PIK3CB (0.43) PIK3CBCYP19A1MAPKAPK2TRPV1IDO1
SCHEMBL10101169 0.92 PIK3CB (0.41) PIK3CBCYP19A1HPGDMAPKAPK2IDO1
SCHEMBL10101282 0.89 PIK3CB (0.39) PIK3CBCYP19A1MAPKAPK2HTTSMN1; SMN2
SCHEMBL10101332 0.86 PIK3CB (0.47) PIK3CBCYP19A1MAPKAPK2TRPV1IDO1
SCHEMBL10101155 0.86 PIK3CB (0.52) PIK3CBCYP19A1MAPKAPK2TRPV1IDO1
SCHEMBL10101368 0.85 PIK3CB (0.43) PIK3CBCYP19A1MAPKAPK2TRPV1ENTPD5
SCHEMBL10101156 0.83 PIK3CB (0.45) PIK3CBCYP19A1MAPKAPK2TRPV1IDO1
SCHEMBL10101392 0.83 PIK3CB (0.39) PIK3CBCYP19A1MAPKAPK2TRPV1IDO1
SCHEMBL10101366 0.82 PIK3CB (0.38) PIK3CBCYP19A1MAPKAPK2TRPV1IDO1

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 98/4885CYP19A1 3981/4885HPGD 4705/4885

“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.