SCHEMBL296369

SCHEMBL296369

O=C(c1cc(NS(=O)(=O)C2CCCC2)ccc1F)c1c[nH]c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.44
BRD4 O60885 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAP2K1 Q02750 1/20 0.41
NEK2 P51955 1/20 0.41
CAMKK1 Q8N5S9 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
FABP4 P15090 5/20 0.40
FABP5 Q01469 5/20 0.40
FABP3 P05413 1/20 0.40
COMT P21964 1/20 0.39
CNR2 P34972 1/20 0.39
MAP2K4 P45985 2/20 0.39
HTR4 Q13639 1/20 0.38
CYP2C9 P11712 1/20 0.38
NAMPT P43490 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL298381 0.99 BRAF (0.44) BRAFBRD4TDP1MAP2K1NEK2
SCHEMBL299590 0.96 BRAF (0.46) BRAFTDP1MAP2K1NEK2CNR2
SCHEMBL298856 0.85 CYP2C19 (0.49) BRAFMAP2K1NEK2MAP2K4CYP2C9
SCHEMBL298370 0.84 CYP2C19 (0.49) BRAFBRD4MAP2K1NEK2MAP2K4
SCHEMBL297491 0.84 BRAF (0.51) BRAFMAP2K1NEK2CYP2C9KDR
SCHEMBL299404 0.82 BRAF (0.44) BRAFMAP2K1NEK2COMTKDR
SCHEMBL298667 0.82 BRAF (0.52) BRAFMAP2K1NEK2MAP2K4CYP2C9
SCHEMBL299276 0.81 BRAF (0.48) BRAFMAP2K1NEK2CYP2C9KDR
SCHEMBL298074 0.80 CLK1 (0.46) BRAFMAP2K1FABP4FABP5CYP2C9
SCHEMBL298879 0.80 CYP2C9 (0.49) BRAFMAP2K4CYP2C9

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 BRAF 1/4885BRD4 2367/4885TDP1 3504/4885

“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.