SCHEMBL10101274

SCHEMBL10101274

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.37
LTB4R Q15722 1/20 0.35
KIF11 P52732 2/20 0.34
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIK3CA P42336 1/20 0.30
PIK3CG P48736 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
SCHEMBL10101251 0.95 PIK3CB (0.35) PIK3CBLTB4RKIF11PIK3CAPIK3CG
SCHEMBL10101247 0.94 PIK3CB (0.36) PIK3CBLTB4RKIF11PIK3CAPIK3CG
SCHEMBL10101126 0.81 PIK3CB (0.39) PIK3CBLTB4RKIF11ALDH1A1CYP3A4
SCHEMBL10101187 0.77 PIK3CB (0.41) PIK3CBALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL10101138 0.76 PIK3CB (0.36) PIK3CBLTB4RKIF11PIK3CAPIK3CG
SCHEMBL10101207 0.76 PIK3CB (0.36) PIK3CBLTB4RKIF11PIK3CAPIK3CG
SCHEMBL10101184 0.76 PIK3CB (0.39) PIK3CBALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL10101338 0.75 PIK3CB (0.41) PIK3CBLTB4RKIF11ALDH1A1CYP3A4
SCHEMBL10101153 0.74 PIK3CB (0.42) PIK3CBALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL10101136 0.74 PIK3CB (0.44) PIK3CBALDH1A1CYP3A4CYP2C9TSHR

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 98/4885LTB4R 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.