SCHEMBL1437490

SCHEMBL1437490

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.46
BRAF P15056 11/20 0.39
METAP2 P50579 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
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
SCHEMBL1437448 0.87 CYP2C9 (0.41) FABP4BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL1437566 0.81 FABP4 (0.51) FABP4BRAFMETAP2CYP3A4CYP2C9
SCHEMBL913252 0.81 BRAF (0.43) FABP4BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL914674 0.80 CYP2C9 (0.55) FABP4BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL914273 0.78 FABP4 (0.41) FABP4BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL3529771 0.78 FABP4 (0.53) FABP4BRAFMETAP2
SCHEMBL413368 0.78 CYP3A4 (0.62) BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL20399212 0.77 BRAF (0.46) FABP4BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL1490948 0.77 BRAF (0.55) FABP4BRAFMETAP2CYP2C9
SCHEMBL912842 0.76 BRAF (0.56) FABP4BRAFCYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
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
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 US disclosed
WO-2011025947-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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 (2 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-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF FABP4 3047/4885BRAF 1/4885METAP2 3636/4885
US-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF FABP4 3272/4885BRAF 1/4885METAP2 1988/4885

“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.