SCHEMBL1312280

SCHEMBL1312280

CC(C)CCCCC#Cc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.54
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADORA3 P0DMS8 7/20 0.41
CYP17A1 P05093 3/20 0.41
EPHX2 P34913 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
PSMB8 P28062 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL3122523 0.82 CYP2C19 (0.48) PTPN11ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL18291025 0.79 PTPN11 (0.64) PTPN11ALDH1A1MAPTCYP2C19CYP17A1
SCHEMBL1312427 0.79 FAAH (0.52) PTPN11
SCHEMBL1312448 0.78 CYP17A1 (0.50) CYP17A1NAMPT
SCHEMBL18387837 0.77 CYP17A1 (0.52) CYP17A1CA12CA1CA9PSMB8
SCHEMBL12330823 0.75 EPHX2 (0.69) ALDH1A1CYP2C9CYP17A1EPHX2CA12
SCHEMBL26081219 0.74 PTPN11 (0.53) PTPN11ALDH1A1CYP2C19CYP17A1CA12
SCHEMBL20784539 0.74 CYP17A1 (0.54) CYP17A1PSMB8NAMPT
SCHEMBL7043137 0.74 PTPN11 (0.59) PTPN11ALDH1A1MAPTCYP2C19CYP17A1
SCHEMBL7431047 0.74 PTPN11 (0.56) PTPN11ALDH1A1MAPTCYP2C19CYP17A1

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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 WO 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 PTPN11 2653/4885ALDH1A1 1495/4885CYP1A2 1792/4885

“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.