SCHEMBL298074

SCHEMBL298074

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
BRAF P15056 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 2/20 0.44
FABP4 P15090 2/20 0.44
GRM4 Q14833 1/20 0.44
HPGD P15428 1/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MAP2K1 Q02750 1/20 0.42
CYP2C9 P11712 1/20 0.42
FABP5 Q01469 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
SCHEMBL298469 0.93 ALDH1A1 (0.47) BRAFALDH1A1MEN1KMT2AKDM4E
SCHEMBL298047 0.91 BRAF (0.56) BRAFCYP3A4CYP2C9
SCHEMBL298860 0.90 CYP3A4 (0.54) BRAFALDH1A1KMT2ACYP3A4FABP4
SCHEMBL299744 0.88 CCR9 (0.51) BRAFCYP3A4FABP4FFAR4MAP2K1
SCHEMBL298904 0.87 CYP3A4 (0.47) BRAFALDH1A1CYP3A4CYP2C9
SCHEMBL297491 0.85 BRAF (0.51) DYRK1ABRAFCYP3A4MAP2K1CYP2C9
SCHEMBL298763 0.85 CYP2C9 (0.57) CLK1DYRK1ABRAFCYP3A4MAP2K1
SCHEMBL298650 0.85 BRAF (0.51) CLK1BRAFMEN1KMT2ACYP3A4
SCHEMBL298424 0.83 SLC40A1 (0.48) BRAFCYP3A4FABP4MAP2K1CYP2C9
SCHEMBL299276 0.83 BRAF (0.48) BRAFCYP3A4HTTMAP2K1CYP2C9

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 6 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
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 CLK1 1044/4885DYRK1A 673/4885BRAF 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.