SCHEMBL1285568

SCHEMBL1285568

Cc1cc(C(C)NC(=O)c2ccc3nc(N4CCC(F)(F)CC4)ccc3c2)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.39
HDAC3 O15379 4/20 0.39
HDAC2 Q92769 4/20 0.39
HRH3 Q9Y5N1 2/20 0.37
KIF18A Q8NI77 4/20 0.37
BRAF P15056 4/20 0.34
TRPV3 Q8NET8 1/20 0.34
TP53 P04637 1/20 0.33
PIK3CA P42336 1/20 0.33
HDAC1 Q13547 1/20 0.33
NCOR2 Q9Y618 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
SCHEMBL1285566 1.00 PTGER4 (0.39) PTGER4HDAC3HDAC2HRH3KIF18A
SCHEMBL1284636 0.94 HDAC3 (0.42) PTGER4HDAC3HDAC2HRH3KIF18A
SCHEMBL1285305 0.93 HDAC3 (0.41) HDAC3HDAC2HRH3BRAFTP53
SCHEMBL1285304 0.93 HDAC3 (0.41) HDAC3HDAC2HRH3BRAFTP53
SCHEMBL1284412 0.92 HDAC3 (0.40) HDAC3HDAC2HRH3TP53
SCHEMBL1285679 0.92 HDAC3 (0.40) HDAC3HDAC2HRH3TP53
SCHEMBL1644317 0.91 BRAF (0.41) HDAC3HDAC2HRH3BRAFTP53
SCHEMBL1285103 0.91 BRAF (0.42) HDAC3HDAC2BRAFPIK3CA
SCHEMBL1285100 0.91 BRAF (0.42) HDAC3HDAC2BRAFPIK3CA
SCHEMBL1646258 0.91 HDAC3 (0.50) HDAC3HDAC2HRH3HDAC1NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 PTGER4 198/4885HDAC3 239/4885HDAC2 453/4885

“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.