SCHEMBL298469

SCHEMBL298469

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
BRAF P15056 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.44
CYP3A4 P08684 2/20 0.44
GPR27 Q9NS67 1/20 0.43
NAMPT P43490 1/20 0.43
KIT P10721 2/20 0.43
CYP19A1 P11511 1/20 0.43
CCR9 P51686 1/20 0.42
TSHR P16473 1/20 0.42
BRD4 O60885 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
SCHEMBL298074 0.93 CLK1 (0.46) ALDH1A1BRAFMEN1KMT2AKDM4E
SCHEMBL298904 0.90 CYP3A4 (0.47) ALDH1A1BRAFCYP3A4KITBRD4
SCHEMBL298047 0.90 BRAF (0.56) BRAFCYP3A4GPR27NAMPTKIT
SCHEMBL298860 0.87 CYP3A4 (0.54) ALDH1A1BRAFKMT2ACYP3A4KIT
SCHEMBL299744 0.87 CCR9 (0.51) BRAFMAPTCYP3A4CCR9
SCHEMBL297193 0.87 BRAF (0.53) BRAFMEN1KMT2ACYP3A4KIT
SCHEMBL297491 0.85 BRAF (0.51) BRAFCYP3A4
SCHEMBL298650 0.84 BRAF (0.51) BRAFMEN1KMT2AMAPTGAA
SCHEMBL298763 0.82 CYP2C9 (0.57) BRAFCYP3A4KIT
SCHEMBL298424 0.82 SLC40A1 (0.48) BRAFCYP3A4NAMPTKITCCR9

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 ALDH1A1 3328/4885BRAF 1/4885MEN1 2348/4885

“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.