SCHEMBL1437448

SCHEMBL1437448

CCC(C)S(=O)(=O)Nc1ccc(F)c(C(=O)OC)c1F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.41
FABP4 P15090 1/20 0.40
BRAF P15056 13/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 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
SCHEMBL1437490 0.87 FABP4 (0.46) CYP2C9FABP4BRAFCYP3A4CYP2C19
SCHEMBL913334 0.82 BRAF (0.41) CYP2C9BRAFCYP3A4CYP2C19
SCHEMBL20408709 0.82 CYP2C9 (0.57) CYP2C9FABP4BRAFCYP3A4CYP2C19
SCHEMBL23458102 0.80 ALDH1A1 (0.42) FABP4CYP2C19
SCHEMBL29721191 0.80 ALDH1A1 (0.42) FABP4CYP2C19
SCHEMBL3526302 0.79 KDM4E (0.47) CYP2C9FABP4BRAF
SCHEMBL1868892 0.79 CYP3A4 (0.59) CYP2C9BRAFCYP3A4CYP2C19
SCHEMBL1490998 0.78 BRAF (0.54) CYP2C9FABP4BRAF
SCHEMBL914366 0.77 BRAF (0.40) CYP2C9FABP4BRAFCYP3A4CYP2C19
SCHEMBL20408784 0.77 BRAF (0.54) CYP2C9BRAFCYP3A4CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470541-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
WO-2011025947-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 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-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP2C9 2807/4885FABP4 3272/4885BRAF 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.