SCHEMBL10101207

SCHEMBL10101207

COc1cc(OS(=O)(=O)C(F)(F)F)c2c(c1)SC[C@H]1[C@@]2(C)CCC2C(C)(C)CCC[C@@]21C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.36
LTB4R Q15722 1/20 0.34
KIF11 P52732 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CG P48736 2/20 0.33
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL10101138 1.00 PIK3CB (0.36) PIK3CBLTB4RKIF11PIK3CAPIK3CG
SCHEMBL10101125 0.85 PIK3CB (0.38) PIK3CBLTB4RKIF11PIK3CAPIK3CG
SCHEMBL10101251 0.81 PIK3CB (0.35) PIK3CBLTB4RKIF11PIK3CAPIK3CG
SCHEMBL10101139 0.79 PIK3CB (0.38) PIK3CBPIK3CAPIK3CGALOX15ALOX12
SCHEMBL10101266 0.79 PIK3CB (0.53) PIK3CBPIK3CAPIK3CGALOX15ALOX12
SCHEMBL10101134 0.78 PIK3CB (0.43) PIK3CBPIK3CAPIK3CGALOX15ALOX12
SCHEMBL10101208 0.78 PIK3CB (0.43) PIK3CBPIK3CAPIK3CGALOX15ALOX12
SCHEMBL10101274 0.76 PIK3CB (0.37) PIK3CBLTB4RKIF11PIK3CAPIK3CG
SCHEMBL10101267 0.76 PIK3CB (0.37) PIK3CBPIK3CAPIK3CGALOX15ALOX12
SCHEMBL10101120 0.75 PIK3CB (0.40) PIK3CBLTB4RKIF11PIK3CAPIK3CG

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-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
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 98/4885LTB4R 2603/4885KIF11 2006/4885

“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.