SCHEMBL288456

SCHEMBL288456

O=Cc1c(F)ccc(NS(=O)(=O)C2CC2)c1F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
CYP2D6 P10635 1/20 0.51
BRAF P15056 8/20 0.42
KIT P10721 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CKS1B P61024 3/20 0.36
SKP2 Q13309 3/20 0.36
MRGPRX1 Q96LB2 3/20 0.36
TSPO P30536 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
ACLY P53396 1/20 0.35

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
SCHEMBL412856 0.80 CYP2C9 (0.65) CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL16253672 0.79 BRAF (0.42) CYP2C9CYP3A4CYP2C19BRAFKIT
SCHEMBL7875034 0.74 CYP2C9 (0.80) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL298756 0.74 CYP2C9 (0.61) CYP2C9CYP3A4CYP2C19CYP2D6PTGS1
SCHEMBL3010599 0.74 BRAF (0.41) BRAFKITALOX5APFEN1ACLY
SCHEMBL26812006 0.74 BRAF (0.39) BRAFKITPTGS1PTGS2CKS1B
SCHEMBL3008478 0.74 BRAF (0.43) BRAFKITPTGS1PTGS2CKS1B
SCHEMBL413622 0.73 CYP2C9 (0.60) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL856150 0.73 CYP2C9 (0.60) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL25450126 0.73 BRAF (0.42) BRAFMRGPRX1ALOX5APFEN1ACLY

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 3611/4885CYP2C19 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.