SCHEMBL8169487

SCHEMBL8169487

CN(Cc1ccc(C(=O)O)c(CCC#N)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.38
CTSS P25774 7/20 0.38
CTSB P07858 3/20 0.38
CTSL P07711 2/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
CTSK P43235 5/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
STAT5B P51692 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3115144 0.89 CTSS (0.39) GLSCTSSCTSBCTSLNR1H2
SCHEMBL24289750 0.86 HTR2C (0.40) GLSCTSSCTSBCTSLHTR2C
SCHEMBL30616963 0.86 HTR2C (0.40) GLSCTSSCTSBCTSLHTR2C
SCHEMBL3109868 0.85 GLS (0.42) GLSCTSSCTSBCTSLHTR2C
SCHEMBL3122841 0.84 GLS (0.43) GLSHTR2CSLC6A4
SCHEMBL29077699 0.82 GLS (0.41) GLSCTSSCTSBCTSLHTR2C
SCHEMBL3109327 0.81 CTSL (0.41) GLSCTSSCTSBCTSLHTR2C
SCHEMBL3105107 0.81 ADRB3 (0.41) GLSCTSSCTSBCTSLHTR2C
SCHEMBL3117976 0.80 GLS (0.37) GLSHTR2CSLC6A4LTB4RLTB4R2
SCHEMBL3108959 0.78 NR1H4 (0.45) GLSCTSSCTSBCTSLHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 GLS 17/4885CTSS 83/4885CTSB 86/4885

“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.