SCHEMBL10101389

SCHEMBL10101389

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.38
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGDR2 Q9Y5Y4 4/20 0.32
PTGDR Q13258 1/20 0.32
PLA2G2A P14555 2/20 0.31
TRPM2 O94759 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
PNLIP P16233 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
SCHEMBL10101187 0.96 PIK3CB (0.41) PIK3CBKDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL10101184 0.90 PIK3CB (0.39) PIK3CBKDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL10101185 0.87 PIK3CB (0.45) PIK3CBKDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL10101288 0.82 PIK3CB (0.37) PIK3CBALDH1A1TSHRMEN1KMT2A
SCHEMBL10101126 0.77 PIK3CB (0.39) PIK3CBALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL10101188 0.77 FKBP1A (0.41) KDM4EALDH1A1HSD17B10
SCHEMBL10101383 0.74 PIK3CB (0.39) PIK3CBPLA2G2ATRPM2MAPKAPK2PTPN2
SCHEMBL10101164 0.74 PIK3CB (0.45) PIK3CBALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL10101274 0.74 PIK3CB (0.37) PIK3CBALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL10101369 0.73 PIK3CB (0.42) PIK3CBPLA2G2AMAPKAPK2PTPN2PTPN1

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 98/4885KDM4E 2971/4885ALDH1A1 1441/4885

“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.