SCHEMBL10246537

SCHEMBL10246537

[C-]#[N+]c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)N4CCOCC4)c3F)c2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.49
CYP2C9 P11712 5/20 0.49
CYP3A4 P08684 4/20 0.46
BRAF P15056 1/20 0.43
CYP2C19 P33261 1/20 0.41
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
CYP2D6 P10635 1/20 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
SCHEMBL10247741 0.93 CYP2C9 (0.51) PIK3CACYP2C9CYP3A4BRAFCYP2C19
SCHEMBL10245959 0.88 BRAF (0.57) PIK3CACYP2C9CYP3A4BRAFCYP2C19
SCHEMBL298655 0.85 CYP2C9 (0.68) PIK3CACYP2C9CYP3A4BRAFCYP2C19
SCHEMBL288134 0.84 PIK3CA (0.49) PIK3CACYP2C9CYP3A4BRAFCYP2C19
SCHEMBL10246105 0.82 CYP2C9 (0.61) CYP2C9CYP3A4BRAFCYP2C19CYP2D6
SCHEMBL4570651 0.81 CYP2C9 (0.60) CYP2C9CYP3A4BRAFCYP2C19CYP2D6
SCHEMBL10246115 0.81 CYP2C9 (0.53) CYP2C9CYP3A4BRAFCYP2C19CYP2D6
SCHEMBL10246230 0.81 CYP2C9 (0.55) CYP2C9CYP3A4BRAFCYP2C19CYP2D6
SCHEMBL4570653 0.81 CYP2C9 (0.72) PIK3CACYP2C9CYP3A4BRAFCYP2C19
SCHEMBL15667561 0.81 CYP3A4 (0.55) PIK3CACYP2C9CYP3A4BRAFCYP2C19

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 1 patent. 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

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 PIK3CA 277/4885CYP2C9 2176/4885CYP3A4 3611/4885

“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.