SCHEMBL1285829

SCHEMBL1285829

Cc1cc([C@@H](C)NC(=O)c2ccc3cc(C4(C)CC4)ccc3c2)ncc1NS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 7/20 0.39
PDE2A O00408 2/20 0.37
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HPGDS O60760 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP21A2 P08686 1/20 0.33
CYP2C19 P33261 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
IDO1 P14902 1/20 0.32
KCNH2 Q12809 1/20 0.32
CASP1 P29466 1/20 0.32
B3GNT2 Q9NY97 1/20 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
SCHEMBL1285830 1.00 CYP17A1 (0.39) CYP17A1PDE2ACTSLCTSSCTSK
SCHEMBL1643314 0.86 CYP17A1 (0.39) CYP17A1PDE2AHPGDSCYP3A4CYP1A2
SCHEMBL14377390 0.84 PDE2A (0.38) CYP17A1PDE2AHPGDSCYP3A4CYP1A2
SCHEMBL1285428 0.82 CYP17A1 (0.39) CYP17A1PDE2AHPGDSCYP3A4ALDH1A1
SCHEMBL1285366 0.82 CTSL (0.35) CYP17A1PDE2ACTSLCTSSCTSK
SCHEMBL1285369 0.82 CTSL (0.35) CYP17A1PDE2ACTSLCTSSCTSK
SCHEMBL1285295 0.81 PDE2A (0.43) CYP17A1PDE2ACYP3A4B3GNT2
SCHEMBL1842139 0.71 BRPF1 (0.52) CYP17A1PDE2ACYP3A4CYP1A2CYP21A2
SCHEMBL1842507 0.71 BRPF1 (0.52) CYP17A1PDE2ACYP3A4CYP1A2CYP21A2
SCHEMBL14378312 0.70 CYP17A1 (0.36) CYP17A1PDE2ACYP3A4CYP1A2CYP2C19

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 CYP17A1 4396/4885PDE2A 1116/4885CTSL 1389/4885

“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.