SCHEMBL1437281

SCHEMBL1437281

CCCS(=O)(=O)N(C)c1ccc(F)c(N)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BRAF P15056 5/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL22845652 0.81 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19HTR1DHTR1B
SCHEMBL1437491 0.80 AKR1B1 (0.34) AKR1B1CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL9930946 0.76 ACHE (0.37)
SCHEMBL1437450 0.76 KMT2A (0.35) AKR1B1CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL8002996 0.72 METAP2 (0.34) AKR1B1CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL1437454 0.70 ALDH1A1 (0.39) BRAF
SCHEMBL1492035 0.67 APLNR (0.43)
SCHEMBL1437671 0.67 CYP3A4 (0.68) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL22831974 0.66 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL8001344 0.66 BRAF (0.34) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102753554-A Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC 2012-10-24 CN disclosed
EP-2470541-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US 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 (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-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AKR1B1 4129/4885ALOX5AP 3156/4885FEN1 372/4885
US-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF AKR1B1 501/4885ALOX5AP 3979/4885FEN1 1416/4885

“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.