SCHEMBL299062

SCHEMBL299062

O=C(c1cccc(NS(=O)(=O)C2CCCC2)c1)c1c[nH]c2ncc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.44
PAK1 Q13153 3/20 0.44
BTK Q06187 2/20 0.43
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ERBB3 P21860 1/20 0.41
TEK Q02763 1/20 0.41
ERBB4 Q15303 1/20 0.41
MAP2K7 O14733 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 2/20 0.39
KIT P10721 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
GAK O14976 1/20 0.38
STK16 O75716 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
NEK2 P51955 1/20 0.38
ROCK1 Q13464 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 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
SCHEMBL298501 0.99 MAP2K4 (0.46) MAP2K4PAK1BTKEGFRERBB2
SCHEMBL298125 0.89 PAK1 (0.48) MAP2K4PAK1BTKCYP3A4CYP2C9
SCHEMBL297909 0.89 BTK (0.45) MAP2K4PAK1BTKCYP3A4AAK1
SCHEMBL298554 0.88 BTK (0.45) MAP2K4PAK1BTKCYP3A4AAK1
SCHEMBL298747 0.88 PAK1 (0.47) MAP2K4PAK1BTKCYP3A4CYP2C9
SCHEMBL297235 0.86 AAK1 (0.44) PAK1BTKERBB4AAK1NEK2
SCHEMBL299341 0.85 AAK1 (0.43) MAP2K4PAK1BTKERBB4AAK1
SCHEMBL297098 0.85 PAK1 (0.49) MAP2K4PAK1BTKMAP2K7CYP3A4
SCHEMBL299488 0.82 PAK1 (0.54) PAK1AAK1
SCHEMBL298745 0.82 CAMKK2 (0.52) MAP2K4PAK1BTKEGFRCYP2C9

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 MAP2K4 118/4885PAK1 290/4885BTK 515/4885

“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.