SCHEMBL9930946

SCHEMBL9930946

CCCS(=O)(=O)N(Cc1ccccc1)c1ccc(F)c(N)c1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 1/20 0.36
GRM2 Q14416 6/20 0.35
KCNA5 P22460 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
CNR2 P34972 1/20 0.33
ACLY P53396 1/20 0.33
NR3C1 P04150 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
SCHEMBL22845652 0.81 CYP3A4 (0.33)
SCHEMBL1492035 0.79 APLNR (0.43) CA2ALDH1A1CNR2ACLYNR3C1
SCHEMBL1437281 0.76 AKR1B1 (0.37)
SCHEMBL12497894 0.76 APLNR (0.39) ALDH1A1CNR2NR3C1
SCHEMBL1460926 0.76 CNR2 (0.40) MEN1KMT2ACA2ALDH1A1CNR2
SCHEMBL9930750 0.76 CNR2 (0.42) MAPTALDH1A1CNR2ACLYNR3C1
SCHEMBL12499269 0.74 APLNR (0.39) CA2ALDH1A1CNR2ACLYNR3C1
SCHEMBL22831927 0.72 KMT2A (0.38) ACHEKDM4EMEN1GAAMAPT
SCHEMBL9930518 0.68 CNR2 (0.42) MEN1KMT2ACA2ALDH1A1CNR2
SCHEMBL1492094 0.68 CNR2 (0.44) MAPTALDH1A1CNR2ACLYNR3C1

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-102712646-A RAF inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC 2012-10-03 CN disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
WO-2011025940-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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ACHE 4866/4885KDM4E 3645/4885MEN1 756/4885

“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.