SCHEMBL298047

SCHEMBL298047

O=C(c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1F)c1c[nH]c2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.56
CYP2C19 P33261 5/20 0.44
CYP2C9 P11712 3/20 0.44
GPR27 Q9NS67 1/20 0.44
SLC40A1 Q9NP59 2/20 0.44
BACE1 P56817 2/20 0.44
CYP3A4 P08684 4/20 0.43
NAMPT P43490 1/20 0.43
KIT P10721 1/20 0.42

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
SCHEMBL298650 0.91 BRAF (0.51) BRAFSLC40A1CYP3A4NAMPTKIT
SCHEMBL298074 0.91 CLK1 (0.46) BRAFCYP2C9CYP3A4
SCHEMBL298469 0.90 ALDH1A1 (0.47) BRAFGPR27CYP3A4NAMPTKIT
SCHEMBL299744 0.88 CCR9 (0.51) BRAFCYP3A4
SCHEMBL299148 0.86 BRAF (0.49) BRAFCYP2C19CYP2C9BACE1CYP3A4
SCHEMBL298675 0.86 BRAF (0.49) BRAFSLC40A1NAMPT
SCHEMBL298860 0.85 CYP3A4 (0.54) BRAFCYP2C19CYP2C9CYP3A4KIT
SCHEMBL298904 0.84 CYP3A4 (0.47) BRAFCYP2C9SLC40A1CYP3A4KIT
SCHEMBL298424 0.83 SLC40A1 (0.48) BRAFCYP2C9SLC40A1CYP3A4NAMPT
SCHEMBL298731 0.83 BRAF (0.70) BRAFCYP2C19CYP2C9CYP3A4

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
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 BRAF 1/4885CYP2C19 2730/4885CYP2C9 2176/4885

“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.