SCHEMBL1285366

SCHEMBL1285366

Cc1cc([C@@H](C)NC(=O)c2ccc3cc(C4(C)CC4)ccc3c2)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
PDE2A O00408 1/20 0.35
CYP17A1 P05093 1/20 0.35
PPARG P37231 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AKT1 P31749 2/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
IDH1 O75874 2/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32

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 1.00 CTSL (0.35) CTSLCTSSCTSKPDE2ACYP17A1
SCHEMBL1644796 0.86 PDE2A (0.36) PDE2ACYP17A1PPARGAKT1ROCK2
SCHEMBL1284822 0.86 CTSL (0.34) CTSLCTSSCTSKPDE2APPARG
SCHEMBL14378312 0.85 CYP17A1 (0.36) PDE2ACYP17A1PPARGAKT1ROCK2
SCHEMBL1285546 0.83 CCR1 (0.36) PDE2APPARGAKT1
SCHEMBL1285544 0.83 CCR1 (0.36) PDE2APPARGAKT1
SCHEMBL1285299 0.82 PDE2A (0.46) PDE2APPARG
SCHEMBL1285137 0.82 EPHX2 (0.41) ALDH1A1MAPT
SCHEMBL1285582 0.82 PDE2A (0.46) PDE2APPARG
SCHEMBL1285830 0.82 CYP17A1 (0.39) CTSLCTSSCTSKPDE2ACYP17A1

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 4 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

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.