SCHEMBL3115144

SCHEMBL3115144

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.39
CTSB P07858 3/20 0.39
CTSL P07711 2/20 0.39
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
GLS O94925 3/20 0.38
NR1H2 P55055 1/20 0.35
STAT5B P51692 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CTSK P43235 6/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL3109458 0.89 CTSL (0.38) CTSSCTSBCTSLHTR2CSLC6A4
SCHEMBL8169487 0.89 GLS (0.38) CTSSCTSBCTSLHTR2CSLC6A4
SCHEMBL24289750 0.88 HTR2C (0.40) CTSSCTSBCTSLHTR2CSLC6A4
SCHEMBL30616963 0.88 HTR2C (0.40) CTSSCTSBCTSLHTR2CSLC6A4
SCHEMBL3109868 0.87 GLS (0.42) CTSSCTSBCTSLHTR2CSLC6A4
SCHEMBL29077699 0.84 GLS (0.41) CTSSCTSBCTSLHTR2CSLC6A4
SCHEMBL3109327 0.83 CTSL (0.41) CTSSCTSBCTSLHTR2CSLC6A4
SCHEMBL3105107 0.82 ADRB3 (0.41) CTSSCTSBCTSLHTR2CSLC6A4
SCHEMBL3122841 0.81 GLS (0.43) HTR2CSLC6A4GLS
SCHEMBL21997473 0.81 CTSS (0.46) CTSSCTSBCTSLHTR2CSLC6A4

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-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
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
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 CTSS 83/4885CTSB 86/4885CTSL 75/4885

“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.