SCHEMBL299069

SCHEMBL299069

Cc1cnc2[nH]cc(C(=O)c3cc(NS(=O)(=O)c4cccnc4)ccc3F)c2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.57
CYP2C19 P33261 1/20 0.50
PIK3CA P42336 2/20 0.46
CYP2C9 P11712 3/20 0.46
BRAF P15056 4/20 0.43
SLC40A1 Q9NP59 1/20 0.43
CYP17A1 P05093 1/20 0.42
HIF1A Q16665 1/20 0.42
SNCA P37840 1/20 0.42
MAP2K7 O14733 1/20 0.41
MAP2K4 P45985 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 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
SCHEMBL299098 0.86 CYP3A4 (0.51) CYP3A4CYP2C19PIK3CACYP2C9BRAF
SCHEMBL298357 0.85 CYP3A4 (0.52) CYP3A4CYP2C19PIK3CACYP2C9SLC40A1
SCHEMBL297762 0.85 PIK3CA (0.54) CYP3A4CYP2C19PIK3CACYP2C9BRAF
SCHEMBL299292 0.84 CYP3A4 (0.50) CYP3A4CYP2C19PIK3CACYP2C9BRAF
SCHEMBL293639 0.84 CYP3A4 (0.80) CYP3A4CYP2C19CYP2C9BRAFMAP2K4
SCHEMBL298860 0.80 CYP3A4 (0.54) CYP3A4CYP2C19CYP2C9BRAFKMT2A
SCHEMBL298074 0.79 CLK1 (0.46) CYP3A4CYP2C9BRAFKMT2A
SCHEMBL409620 0.79 CYP2C9 (0.54) CYP3A4CYP2C19PIK3CACYP2C9BRAF
SCHEMBL858685 0.79 CYP3A4 (0.59) CYP3A4CYP2C19PIK3CACYP2C9BRAF
SCHEMBL298354 0.79 CYP3A4 (0.53) CYP3A4CYP2C19PIK3CACYP2C9BRAF

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 3611/4885CYP2C19 2730/4885PIK3CA 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.