SCHEMBL299594

SCHEMBL299594

N#Cc1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3F)c2c1

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 0.88
CYP3A4 P08684 7/20 0.80
CYP2C19 P33261 5/20 0.47
CYP2D6 P10635 1/20 0.43
BRAF P15056 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL292670 0.94 CYP2C9 (1.00) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL291570 0.92 CYP2C9 (1.00) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL299314 0.91 CYP2C9 (0.82) CYP2C9CYP3A4CYP2C19
SCHEMBL299537 0.89 CYP3A4 (0.87) CYP2C9CYP3A4CYP2C19CYP2D6KDM4E
SCHEMBL298729 0.89 CYP3A4 (1.00) CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL294562 0.89 CYP2C9 (0.84) CYP2C9CYP3A4CYP2C19BRAF
SCHEMBL295492 0.88 CYP2C9 (0.84) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL299237 0.88 CYP2C9 (0.76) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL297958 0.87 CYP3A4 (0.79) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL298852 0.87 CYP2C9 (1.00) CYP2C9CYP3A4CYP2C19CYP2D6BRAF

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP2C9 2176/4885CYP3A4 3611/4885CYP2C19 2730/4885

“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.