SCHEMBL1284822

SCHEMBL1284822

Cc1cc([C@@H](C)NC(=O)c2ccc3nc(C4(C)CC4)ccc3c2)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
PPARG P37231 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
PDE2A O00408 3/20 0.31
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
AKT1 P31749 2/20 0.31
BDKRB1 P46663 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BRAF P15056 1/20 0.30
MAPT P10636 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
NPC1 O15118 1/20 0.30
BRPF1 P55201 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
SCHEMBL1285369 0.86 CTSL (0.35) CTSLCTSSCTSKPPARGPDE2A
SCHEMBL1285366 0.86 CTSL (0.35) CTSLCTSSCTSKPPARGPDE2A
SCHEMBL1284794 0.85 NPC1 (0.34) PPARGHDAC6PDE2AROCK2ROCK1
SCHEMBL14377461 0.85 NPC1 (0.30) NPC1
SCHEMBL1284636 0.85 HDAC3 (0.42) PPARGBRAFMAPT
SCHEMBL1285568 0.84 PTGER4 (0.39) BRAF
SCHEMBL1285566 0.84 PTGER4 (0.39) BRAF
SCHEMBL1285072 0.83 TRPV1 (0.41) PDE2A
SCHEMBL1285403 0.83 KMT2A (0.34) PPARGPDE2AROCK2ROCK1
SCHEMBL1285401 0.83 KMT2A (0.34) PPARGPDE2AROCK2ROCK1

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
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 claimed
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
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
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
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 CTSL 1389/4885CTSS 1098/4885CTSK 689/4885

“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.