SCHEMBL5139736

SCHEMBL5139736

NC(Cc1cccc(O)c1)C(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.46
CTSV O60911 4/20 0.46
CTSK P43235 4/20 0.46
CTSL P07711 3/20 0.46
DPP4 P27487 8/20 0.44
DPP8 Q6V1X1 5/20 0.42
DPP9 Q86TI2 5/20 0.42
DPP7 Q9UHL4 5/20 0.42
FAP Q12884 2/20 0.42
TACR1 P25103 1/20 0.41
GRIA2 P42262 1/20 0.40

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
SCHEMBL4564702 0.88 DPP4 (0.57) CTSSCTSVCTSKCTSLDPP4
SCHEMBL5098324 0.87 DPP4 (0.58) CTSSCTSVCTSKCTSLDPP4
SCHEMBL4449572 0.83 DPP4 (0.45) CTSSCTSVCTSKCTSLDPP4
SCHEMBL5092222 0.83 DPP4 (0.52) CTSSCTSVCTSKCTSLDPP4
SCHEMBL6803957 0.83 DPP4 (0.46) CTSSCTSVCTSKCTSLDPP4
SCHEMBL5139350 0.82 CTSS (0.45) CTSSCTSVCTSKCTSLDPP4
SCHEMBL6798993 0.82 DPP4 (0.53) CTSSCTSVCTSKCTSLDPP4
SCHEMBL6798780 0.82 CTSS (0.45) CTSSCTSVCTSKCTSLDPP4
SCHEMBL6803081 0.82 DPP4 (0.58) CTSSCTSVCTSKCTSLDPP4
SCHEMBL6803733 0.82 DPP4 (0.53) CTSSCTSVCTSKCTSLDPP4

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-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 US disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSS 39/4885CTSV 27/4885CTSK 62/4885

“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.