SCHEMBL10101169

SCHEMBL10101169

CC1(C)CCC[C@]2(C)[C@H]3CS(=O)(=O)c4cc(C(=O)N5CCOCC5)cc(O)c4[C@]3(C)CC[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.41
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
CYP19A1 P11511 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
IDO1 P14902 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.32
ENTPD5 O75356 1/20 0.32
PIK3CA P42336 3/20 0.32
PIK3CG P48736 3/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 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
SCHEMBL10101285 0.92 PIK3CB (0.43) PIK3CBCYP19A1MAPKAPK2L3MBTL1L3MBTL3
SCHEMBL10101171 0.91 PIK3CB (0.42) PIK3CBCYP19A1MAPKAPK2L3MBTL1L3MBTL3
SCHEMBL10101366 0.90 PIK3CB (0.38) PIK3CBCYP19A1MAPKAPK2IDO1ENTPD5
SCHEMBL10101181 0.89 PIK3CB (0.43) PIK3CBCYP19A1MAPKAPK2IDO1ENTPD5
SCHEMBL10101282 0.87 PIK3CB (0.39) PIK3CBHSP90AA1CYP19A1MAPKAPK2KMT2A
SCHEMBL10101170 0.86 PIK3CB (0.41) PIK3CBHSP90AA1HSP90AB1L3MBTL1BRD4
SCHEMBL10101332 0.84 PIK3CB (0.47) PIK3CBCYP19A1MAPKAPK2IDO1ENTPD5
SCHEMBL10101155 0.84 PIK3CB (0.52) PIK3CBCYP19A1MAPKAPK2IDO1ENTPD5
SCHEMBL10101156 0.81 PIK3CB (0.45) PIK3CBCYP19A1MAPKAPK2IDO1ENTPD5
SCHEMBL10101392 0.81 PIK3CB (0.39) PIK3CBCYP19A1MAPKAPK2IDO1ENTPD5

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 98/4885HSP90AA1 1853/4885HSP90AB1 1783/4885

“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.