SCHEMBL10101178

SCHEMBL10101178

CN1CCN(C(=O)c2cc(O)cc3c2[C@]2(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]2CS3(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.42
ENTPD5 O75356 1/20 0.35
CYP19A1 P11511 1/20 0.33
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
HSP90AA1 P07900 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TRPV1 Q8NER1 1/20 0.31
MAPKAPK2 P49137 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL10101368 0.94 PIK3CB (0.43) PIK3CBENTPD5CYP19A1TSHRHSP90AA1
SCHEMBL10101182 0.91 PIK3CB (0.43) PIK3CBENTPD5CYP19A1HSP90AA1
SCHEMBL10101170 0.91 PIK3CB (0.41) PIK3CBENTPD5TSHRHSP90AA1LMNA
SCHEMBL10101284 0.90 PIK3CB (0.39) PIK3CBENTPD5
SCHEMBL10101157 0.85 PIK3CB (0.57) PIK3CBENTPD5CYP19A1TP53TSHR
SCHEMBL10101171 0.85 PIK3CB (0.42) PIK3CBENTPD5CYP19A1TRPV1MAPKAPK2
SCHEMBL10101159 0.83 PIK3CB (0.45) PIK3CBENTPD5CYP19A1TSHRTRPV1
SCHEMBL10101133 0.81 PIK3CB (0.47) PIK3CBENTPD5CYP19A1TSHRALOX15
SCHEMBL10101179 0.80 PIK3CB (0.43) PIK3CBENTPD5CYP19A1TSHRALOX15
SCHEMBL10101392 0.79 PIK3CB (0.39) PIK3CBENTPD5CYP19A1TRPV1MAPKAPK2

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 98/4885ENTPD5 750/4885CYP19A1 3981/4885

“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.