SCHEMBL10246345

SCHEMBL10246345

CSc1cccc(-c2cnc3[nH]cc(C(=O)c4cc(NS(=O)(=O)C5CCCCC5)ccc4F)c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.43
PAK1 Q13153 1/20 0.42
BRAF P15056 5/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2D6 P10635 1/20 0.41
MAP2K4 P45985 1/20 0.41
CYP3A4 P08684 2/20 0.40

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
SCHEMBL298320 0.89 CYP2C9 (0.48) CYP2C19PAK1BRAFCYP2C9CYP2D6
SCHEMBL298881 0.89 CAMKK2 (0.48) CYP2C19PAK1BRAFCYP2C9CYP2D6
SCHEMBL298879 0.88 CYP2C9 (0.49) CYP2C19PAK1BRAFCYP2C9CYP2D6
SCHEMBL298205 0.88 CAMKK2 (0.49) CYP2C19PAK1BRAFCYP2C9CYP2D6
SCHEMBL10247915 0.86 MAP2K4 (0.43) CYP2C19PAK1BRAFCYP2C9CYP2D6
SCHEMBL10246332 0.86 PAK1 (0.41) CYP2C19PAK1BRAFCYP2C9CYP2D6
SCHEMBL10246625 0.85 BRAF (0.42) CYP2C19PAK1BRAFCYP2C9CYP2D6
SCHEMBL298226 0.84 PAK1 (0.51) CYP2C19PAK1BRAFCYP3A4
SCHEMBL298370 0.83 CYP2C19 (0.49) CYP2C19PAK1BRAFCYP2C9MAP2K4
SCHEMBL298856 0.82 CYP2C19 (0.49) CYP2C19PAK1BRAFCYP2C9MAP2K4

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 2 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

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 CYP2C19 2730/4885PAK1 290/4885BRAF 1/4885

“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.