SCHEMBL9930518

SCHEMBL9930518

CCS(=O)(=O)N(Cc1ccc(OC)cc1)c1ccc(Cl)c(N)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.42
APLNR P35414 5/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACLY P53396 1/20 0.38
CNR1 P21554 2/20 0.38
BCL2A1 Q16548 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
TAS2R14 Q9NYV8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1460926 0.94 CNR2 (0.40) CNR2APLNRMEN1KMT2AACLY
SCHEMBL1492035 0.89 APLNR (0.43) CNR2APLNRACLYCNR1CA12
SCHEMBL12826128 0.88 APLNR (0.37) CNR2APLNRMEN1KMT2AACLY
SCHEMBL1492094 0.84 CNR2 (0.44) CNR2APLNRACLYCNR1BCL2A1
SCHEMBL1462111 0.84 APLNR (0.41) CNR2APLNRACLYCNR1CA12
SCHEMBL9930750 0.79 CNR2 (0.42) CNR2APLNRACLYCNR1BCL2A1
SCHEMBL12499269 0.77 APLNR (0.39) CNR2APLNRACLYCNR1CA12
SCHEMBL12497894 0.75 APLNR (0.39) CNR2APLNRCNR1TAS2R14ALDH1A1
SCHEMBL12497941 0.73 CNR2 (0.39) CNR2APLNRACLYCNR1BCL2A1
SCHEMBL6122831 0.68 APLNR (0.71) CNR2APLNRCNR1TAS2R14ALDH1A1

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 CNR2 4318/4885APLNR 4487/4885MEN1 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.