SCHEMBL4849843

SCHEMBL4849843

CC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.72
CTSS P25774 1/20 0.72
CTSK P43235 1/20 0.72
TACR1 P25103 2/20 0.70
MAPT P10636 2/20 0.68
TP53 P04637 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.66
ACE P12821 2/20 0.65
SSTR3 P32745 1/20 0.61
SCN9A Q15858 1/20 0.59
KLK7 P49862 1/20 0.57
ALOX15 P16050 1/20 0.57
CCKBR P32239 3/20 0.56
CCKAR P32238 1/20 0.56

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
SCHEMBL12267036 1.00 CTSL (0.72) CTSLCTSSCTSKTACR1MAPT
SCHEMBL7413708 0.92 CTSL (0.71) CTSLCTSSCTSKTACR1MAPT
SCHEMBL2727405 0.92 CTSL (0.71) CTSLCTSSCTSKTACR1MAPT
SCHEMBL2727403 0.92 CTSL (0.71) CTSLCTSSCTSKTACR1MAPT
SCHEMBL850438 0.91 ACE (0.77) CTSLCTSSCTSKTACR1MAPT
SCHEMBL29367687 0.91 ACE (0.77) CTSLCTSSCTSKTACR1MAPT
SCHEMBL1003555 0.91 ACE (0.77) CTSLCTSSCTSKTACR1MAPT
SCHEMBL30976323 0.91 ACE (0.77) CTSLCTSSCTSKTACR1MAPT
SCHEMBL1486167 0.91 ACE (0.77) CTSLCTSSCTSKTACR1MAPT
SCHEMBL24378348 0.90 CTSL (0.71) CTSLCTSSCTSKTACR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 CTSL 695/4885CTSS 737/4885CTSK 1174/4885

“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.