SCHEMBL298357

SCHEMBL298357

Cc1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)c4cccnc4)c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
BRD4 O60885 2/20 0.48
PIK3CA P42336 2/20 0.47
SLC40A1 Q9NP59 1/20 0.46
BTK Q06187 1/20 0.45
KMT2A Q03164 2/20 0.44
CYP2C19 P33261 1/20 0.43
NEK2 P51955 1/20 0.43
NAMPT P43490 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 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
SCHEMBL299508 0.89 CYP3A4 (0.53) CYP3A4BRD4PIK3CABTKKMT2A
SCHEMBL298808 0.89 CYP3A4 (0.49) CYP3A4BRD4PIK3CABTKKMT2A
SCHEMBL297350 0.89 CYP3A4 (0.51) CYP3A4BRD4PIK3CABTKKMT2A
SCHEMBL298568 0.88 GAA (0.49) CYP3A4BRD4PIK3CASLC40A1BTK
SCHEMBL298592 0.86 CAMKK2 (0.52) CYP3A4BRD4PIK3CACYP2C9
SCHEMBL298660 0.86 PIK3CA (0.57) CYP3A4BRD4PIK3CA
SCHEMBL299069 0.85 CYP3A4 (0.57) CYP3A4BRD4PIK3CASLC40A1KMT2A
SCHEMBL299448 0.85 PIK3CA (0.52) CYP3A4BRD4PIK3CABTKNEK2
SCHEMBL298351 0.84 PIK3CA (0.49) CYP3A4BRD4PIK3CABTK
SCHEMBL3698939 0.80 PIK3CA (0.49) CYP3A4BRD4PIK3CABTKNAMPT

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 3611/4885BRD4 2367/4885PIK3CA 277/4885

“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.