SCHEMBL10247915

SCHEMBL10247915

C[S+]([O-])Nc1cccc(-c2cnc3[nH]cc(C(=O)c4cc(NS(=O)(=O)C5CCCCC5)ccc4F)c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.43
BRAF P15056 5/20 0.42
PAK1 Q13153 1/20 0.40
CYP2C19 P33261 5/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 4/20 0.39
RIPK1 Q13546 1/20 0.38

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
SCHEMBL10246625 0.99 BRAF (0.42) MAP2K4BRAFPAK1CYP2C19CYP3A4
SCHEMBL298320 0.90 CYP2C9 (0.48) MAP2K4BRAFPAK1CYP2C19CYP3A4
SCHEMBL10246332 0.90 PAK1 (0.41) MAP2K4BRAFPAK1CYP2C19CYP3A4
SCHEMBL298879 0.90 CYP2C9 (0.49) MAP2K4BRAFPAK1CYP2C19CYP3A4
SCHEMBL298881 0.87 CAMKK2 (0.48) MAP2K4BRAFPAK1CYP2C19CYP3A4
SCHEMBL10246345 0.86 CYP2C19 (0.43) MAP2K4BRAFPAK1CYP2C19CYP3A4
SCHEMBL298205 0.86 CAMKK2 (0.49) BRAFPAK1CYP2C19CYP3A4CYP2D6
SCHEMBL298226 0.82 PAK1 (0.51) BRAFPAK1CYP2C19CYP3A4
SCHEMBL7875664 0.81 RIPK1 (0.46) BRAFPAK1RIPK1
SCHEMBL298370 0.81 CYP2C19 (0.49) MAP2K4BRAFPAK1CYP2C19CYP3A4

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 MAP2K4 118/4885BRAF 1/4885PAK1 290/4885

“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.