SCHEMBL10101257

SCHEMBL10101257

COc1cc2c(cc1C=O)[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CS2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.44
PIK3CA P42336 2/20 0.38
PIK3CG P48736 2/20 0.38
IDO1 P14902 3/20 0.36
TRPM2 O94759 1/20 0.36
PLA2G2A P14555 1/20 0.36
ALOX15 P16050 3/20 0.35
ALOX12 P18054 3/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIK3CB P42338 1/20 0.34
TRPA1 O75762 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL10101263 0.86 POLA1 (0.43) POLA1PIK3CAPIK3CGIDO1TRPM2
SCHEMBL2035426 0.78 POLA1 (0.42) POLA1ALOX15ALOX12ALDH1A1TSHR
SCHEMBL10101120 0.75 PIK3CB (0.40) PIK3CAPIK3CGIDO1ALOX15ALOX12
SCHEMBL10101125 0.75 PIK3CB (0.38) POLA1PIK3CAPIK3CGPLA2G2AALOX15
SCHEMBL387738 0.74 PIK3CB (0.36) PIK3CAPIK3CGALOX15ALOX12ALDH1A1
SCHEMBL10101130 0.74 PIK3CB (0.41) PIK3CAPIK3CGPLA2G2AALOX15ALOX12
SCHEMBL10101323 0.74 ENTPD5 (0.39) IDO1PLA2G2AALDH1A1TSHRKDM4E
SCHEMBL386764 0.73 ENTPD5 (0.51) PIK3CAPIK3CGALDH1A1TSHRKDM4E
SCHEMBL10101139 0.70 PIK3CB (0.38) POLA1PIK3CAPIK3CGALOX15ALOX12
SCHEMBL10101208 0.70 PIK3CB (0.43) PIK3CAPIK3CGIDO1ALOX15ALOX12

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
WO-2011069118-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 WO 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 POLA1 2511/4885PIK3CA 128/4885PIK3CG 125/4885

“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.