SCHEMBL299508

SCHEMBL299508

O=C(c1cccc(NS(=O)(=O)c2cccnc2)c1)c1c[nH]c2ncc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
MAP2K7 O14733 2/20 0.47
MAP2K4 P45985 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 3/20 0.46
PIK3CA P42336 2/20 0.45
BTK Q06187 1/20 0.45
BRD4 O60885 2/20 0.44
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
NAMPT P43490 1/20 0.43
MEN1 O00255 1/20 0.42
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
NEK2 P51955 1/20 0.41

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
SCHEMBL298808 0.89 CYP3A4 (0.49) CYP3A4MAP2K7MAP2K4KMT2ACYP2C9
SCHEMBL297350 0.89 CYP3A4 (0.51) CYP3A4MAP2K7MAP2K4KMT2ACYP2C9
SCHEMBL298357 0.89 CYP3A4 (0.52) CYP3A4KMT2ACYP2C9PIK3CABTK
SCHEMBL298568 0.86 GAA (0.49) CYP3A4KMT2APIK3CABTKBRD4
SCHEMBL299448 0.85 PIK3CA (0.52) CYP3A4MAP2K7MAP2K4PIK3CABTK
SCHEMBL298660 0.84 PIK3CA (0.57) CYP3A4MAP2K7MAP2K4PIK3CABRD4
SCHEMBL298592 0.84 CAMKK2 (0.52) CYP3A4MAP2K7MAP2K4CYP2C9PIK3CA
SCHEMBL298351 0.82 PIK3CA (0.49) CYP3A4PIK3CABTKBRD4
SCHEMBL3710534 0.82 CYP3A4 (0.57) CYP3A4MAP2K4CYP2C9PIK3CABTK
SCHEMBL3698939 0.80 PIK3CA (0.49) CYP3A4MAP2K7MAP2K4PIK3CABTK

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 CYP3A4 3611/4885MAP2K7 114/4885MAP2K4 118/4885

“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.