SCHEMBL10101168

SCHEMBL10101168

CNC(=O)c1cc(C(=O)NC)c2c(c1)S(=O)(=O)C[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.42
PTPN2 P17706 1/20 0.32
PTPN1 P18031 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
CYP2C19 P33261 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
FDPS P14324 1/20 0.32
ENTPD5 O75356 1/20 0.31
IDO1 P14902 1/20 0.31
CYP19A1 P11511 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
EPAS1 Q99814 1/20 0.30
BRD4 O60885 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
SCHEMBL10101354 0.92 PIK3CB (0.39) PIK3CBPTPN2PTPN1MAPKAPK2TRPV1
SCHEMBL10101159 0.90 PIK3CB (0.45) PIK3CBPTPN2PTPN1ALDH1A1CYP3A4
SCHEMBL10101156 0.90 PIK3CB (0.45) PIK3CBPTPN2PTPN1ALDH1A1CYP3A4
SCHEMBL10101356 0.90 PIK3CB (0.42) PIK3CBPTPN2PTPN1ALDH1A1CYP3A4
SCHEMBL10101165 0.87 PIK3CB (0.39) PIK3CBALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL10101167 0.85 PIK3CB (0.54) PIK3CBPTPN2PTPN1ALDH1A1CYP3A4
SCHEMBL10101273 0.84 PIK3CB (0.42) PIK3CBPTPN2PTPN1ALDH1A1CYP3A4
SCHEMBL10101355 0.83 PIK3CB (0.53) PIK3CBPTPN2PTPN1ALDH1A1CYP3A4
SCHEMBL10101166 0.82 PIK3CB (0.46) PIK3CBPTPN2PTPN1ALDH1A1CYP3A4
SCHEMBL10101370 0.82 PIK3CB (0.41) PIK3CBPTPN2PTPN1ALDH1A1CYP3A4

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 PIK3CB 98/4885PTPN2 74/4885PTPN1 22/4885

“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.