SCHEMBL4449572

SCHEMBL4449572

NC(Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.45
CTSS P25774 5/20 0.43
CTSV O60911 4/20 0.43
CTSK P43235 4/20 0.43
CTSL P07711 3/20 0.43
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 1/20 0.41
DPP7 Q9UHL4 3/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
FAP Q12884 1/20 0.41

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
SCHEMBL6803081 0.88 DPP4 (0.58) DPP4CTSSCTSVCTSKCTSL
SCHEMBL6796926 0.86 DPP4 (0.45) DPP4CTSSCTSVCTSKCTSL
SCHEMBL5098324 0.85 DPP4 (0.58) DPP4CTSSCTSVCTSKCTSL
SCHEMBL5092222 0.85 DPP4 (0.52) DPP4CTSSCTSVCTSKCTSL
SCHEMBL6803957 0.85 DPP4 (0.46) DPP4CTSSCTSVCTSKCTSL
SCHEMBL6803733 0.84 DPP4 (0.53) DPP4CTSSCTSVCTSKCTSL
SCHEMBL6798993 0.84 DPP4 (0.53) DPP4CTSSCTSVCTSKCTSL
SCHEMBL4564702 0.84 DPP4 (0.57) DPP4CTSSCTSVCTSKCTSL
SCHEMBL5139736 0.83 CTSS (0.46) DPP4CTSSCTSVCTSKCTSL
SCHEMBL6801204 0.82 DPP4 (0.54) DPP4CTSSCTSVCTSKCTSL

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-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 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 (2 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 DPP4 670/4885CTSS 39/4885CTSV 27/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 DPP4 651/4885CTSS 21/4885CTSV 18/4885

“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.