SCHEMBL386764

SCHEMBL386764

CC1(C)CCC[C@]2(C)[C@H]3CSc4cc(O)ccc4[C@]3(C)CC[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENTPD5 O75356 2/20 0.51
PIK3CB P42338 1/20 0.39
CYP3A4 P08684 2/20 0.38
USP2 O75604 2/20 0.38
HSP90AA1 P07900 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SOD1 P00441 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CG P48736 2/20 0.37
CETP P11597 1/20 0.37
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 3/20 0.37
PTPN1 P18031 2/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL10101323 0.86 ENTPD5 (0.39) ENTPD5PIK3CBCYP3A4USP2HSP90AA1
SCHEMBL2035426 0.83 POLA1 (0.42) ENTPD5PIK3CBCYP3A4USP2HSP90AA1
SCHEMBL10101131 0.81 PIK3CB (0.47) ENTPD5PIK3CBCYP3A4TRPV1PIK3CA
SCHEMBL10101140 0.80 PIK3CB (0.43) ENTPD5PIK3CBCYP3A4TRPV1PIK3CA
SCHEMBL12234038 0.79 ENTPD5 (0.63) ENTPD5PIK3CBCYP3A4USP2HSP90AA1
SCHEMBL12234033 0.79 ENTPD5 (0.63) ENTPD5PIK3CBCYP3A4USP2HSP90AA1
SCHEMBL12234042 0.79 ENTPD5 (0.63) ENTPD5PIK3CBCYP3A4USP2HSP90AA1
SCHEMBL12234034 0.79 ENTPD5 (0.63) ENTPD5PIK3CBCYP3A4USP2HSP90AA1
SCHEMBL10101162 0.78 PIK3CB (0.43) ENTPD5PIK3CBCYP3A4USP2HSP90AA1
SCHEMBL10101263 0.78 POLA1 (0.43) ENTPD5PIK3CBCYP3A4USP2HSP90AA1

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 7 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-8101605-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC. (CA) 2012-01-24 US disclosed
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
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 ENTPD5 750/4885PIK3CB 98/4885CYP3A4 4358/4885

“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.