SCHEMBL10129555

SCHEMBL10129555

COCCS(=O)(=O)Nc1ccc(F)c(N)c1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
BRAF P15056 14/20 0.43
PARP14 Q460N5 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PSIP1 O75475 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 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
SCHEMBL1437671 0.83 CYP3A4 (0.68) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL1437637 0.81 PSIP1 (0.56) CYP3A4CYP2C9CYP2C19BRAFHSD17B10
SCHEMBL20399233 0.81 FABP4 (0.51) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL1492027 0.81 CYP2C9 (0.50) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL3019846 0.79 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19BRAFPSIP1
SCHEMBL14317717 0.79 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19BRAFPARP14
SCHEMBL14964586 0.78 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19BRAFPSIP1
SCHEMBL1492048 0.76 CYP2C9 (0.48) CYP3A4CYP2C9CYP2C19BRAFPSIP1
SCHEMBL14574987 0.74 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL22833348 0.74 CYP2C9 (0.47) CYP3A4CYP2C9CYP2C19BRAF

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-8710055-B2 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-29 US disclosed
US-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012085127-A1 NEW TRIAZOLYLPHENYL SULFONAMIDES AS SERINE/THREONINE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors CDK2, TNNI3K, CDK1 CYP3A4 4045/4885CYP2C9 4366/4885CYP2C19 4147/4885

“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.