SCHEMBL299590

SCHEMBL299590

O=C(c1cc(NS(=O)(=O)C2CC2)ccc1F)c1c[nH]c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.46
TDP1 Q9NUW8 1/20 0.43
MAP2K1 Q02750 1/20 0.42
CNR2 P34972 1/20 0.41
KIT P10721 4/20 0.40
NEK2 P51955 1/20 0.40
KDR P35968 1/20 0.39
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAP2K4 P45985 2/20 0.38
MAP2K7 O14733 1/20 0.38
PAK1 Q13153 1/20 0.38
CTPS1 P17812 1/20 0.38
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37

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
SCHEMBL296369 0.96 BRAF (0.44) BRAFTDP1MAP2K1CNR2NEK2
SCHEMBL298381 0.95 BRAF (0.44) BRAFTDP1MAP2K1CNR2NEK2
SCHEMBL297491 0.85 BRAF (0.51) BRAFMAP2K1NEK2KDRCYP3A4
SCHEMBL298667 0.85 BRAF (0.52) BRAFMAP2K1KITNEK2KDR
SCHEMBL299276 0.83 BRAF (0.48) BRAFMAP2K1NEK2KDRCYP3A4
SCHEMBL298074 0.82 CLK1 (0.46) BRAFMAP2K1CYP3A4
SCHEMBL298904 0.82 CYP3A4 (0.47) BRAFKITCYP3A4
SCHEMBL299404 0.82 BRAF (0.44) BRAFMAP2K1KITNEK2KDR
SCHEMBL298616 0.81 BRAF (0.57) BRAFMAP2K1KITNEK2KDR
SCHEMBL298469 0.81 ALDH1A1 (0.47) BRAFKITCYP3A4

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 1/4885TDP1 3504/4885MAP2K1 131/4885

“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.