SCHEMBL288500

SCHEMBL288500

CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1Cl

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
BRAF P15056 19/20 0.51

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
SCHEMBL287990 0.92 CYP3A4 (0.63) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL30636731 0.85 CYP2C9 (1.00) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL285523 0.85 CYP2C9 (1.00) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL18043659 0.81 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL29561940 0.81 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL16253620 0.81 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL1437364 0.81 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL13961979 0.80 CYP3A4 (0.74) CYP3A4CYP2C9CYP2C19BRAF
Hydrochloric Acid SCHEMBL27813044 0.79 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL913409 0.78 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19BRAF

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 3611/4885CYP2C9 2176/4885CYP2C19 2730/4885

“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.