SCHEMBL299504

SCHEMBL299504

O=C(c1cccc(NS(=O)(=O)N2CCCC2)c1F)c1c[nH]c2ncc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.53
CYP3A4 P08684 3/20 0.50
BRAF P15056 5/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 2/20 0.42
PIK3CA P42336 1/20 0.42
ERN1 O75460 1/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL15666905 0.89 CYP3A4 (0.53) CYP2C9CYP3A4BRAFKDM4EMEN1
SCHEMBL21876842 0.89 BRAF (0.60) CYP2C9CYP3A4BRAFCYP2C19PIK3CA
SCHEMBL21876847 0.89 BRAF (0.60) CYP2C9CYP3A4BRAFCYP2C19PIK3CA
SCHEMBL12471740 0.88 CYP2C9 (0.56) CYP2C9CYP3A4BRAFCYP2C19PIK3CA
SCHEMBL298723 0.87 CYP2C9 (0.71) CYP2C9CYP3A4BRAFKDM4EMEN1
SCHEMBL15667031 0.87 BRAF (0.52) CYP2C9CYP3A4BRAFKDM4EMEN1
SCHEMBL10247741 0.87 CYP2C9 (0.51) CYP2C9CYP3A4BRAFKDM4EMEN1
SCHEMBL15667229 0.87 CYP2C9 (0.55) CYP2C9CYP3A4BRAFKDM4EMEN1
SCHEMBL15667451 0.86 CYP2C9 (0.51) CYP2C9CYP3A4BRAFKDM4EMEN1
SCHEMBL15667283 0.86 CYP2C9 (0.55) CYP2C9CYP3A4BRAFCYP2C19PIK3CA

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 4 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

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 3611/4885BRAF 1/4885

“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.