SCHEMBL913753

SCHEMBL913753

CCCS(=O)(=O)C(CC)S(=O)(=O)Nc1ccc(C)c(C(=O)O)c1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.41
METAP2 P50579 8/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
FABP4 P15090 1/20 0.33

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
SCHEMBL913252 0.89 BRAF (0.43) BRAFCYP3A4CYP2C9CYP2C19FABP4
SCHEMBL1492024 0.87 BRAF (0.41) BRAFMETAP2CYP3A4CYP2C9CYP2C19
SCHEMBL913421 0.84 BRAF (0.41) BRAFMETAP2CYP3A4CYP2C9CYP2C19
SCHEMBL1773664 0.82 BRAF (0.40) BRAFMETAP2CYP3A4CYP2C9CYP2C19
SCHEMBL913334 0.81 BRAF (0.41) BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL3416027 0.81 METAP2 (0.40) BRAFMETAP2CYP3A4CYP2C9CYP2C19
SCHEMBL914273 0.80 FABP4 (0.41) BRAFCYP3A4CYP2C9CYP2C19FABP4
SCHEMBL21624505 0.78 CA1 (0.33) BRAFMETAP2
SCHEMBL1772129 0.76 BRAF (0.79) BRAF
SCHEMBL3408158 0.75 BRAF (0.40) BRAFMETAP2

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 20 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
US-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC (US) 2012-06-21 US disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 US disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 US disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
US-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2011-01-06 US disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
EP-2265574-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2009111280-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS 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 (5 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-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885METAP2 3223/4885CYP3A4 3832/4885
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF BRAF 1/4885METAP2 4390/4885CYP3A4 2450/4885
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF BRAF 1/4885METAP2 3636/4885CYP3A4 1041/4885
US-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER BRAF, RAF1, ARAF BRAF 1/4885METAP2 3229/4885CYP3A4 4379/4885
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885METAP2 2706/4885CYP3A4 2427/4885

“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.