SCHEMBL4370036

SCHEMBL4370036

CC[C@@H](CNc1ccc(OCCS(C)(=O)=O)cc1OC)NC(=O)[C@H](CC(C)(C)F)N[C@@H](c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.38
CTSB P07858 10/20 0.38
CTSL P07711 9/20 0.38
CTSF Q9UBX1 9/20 0.38
CTSS P25774 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CTSV O60911 1/20 0.34

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
SCHEMBL4367302 0.90 TAS1R3 (0.45) CTSKCTSBCTSLCTSFCTSS
SCHEMBL4367448 0.89 TAS1R3 (0.36) CTSKCTSBCTSLCTSFCTSS
SCHEMBL4367717 0.88 TAS1R3 (0.35) CTSKCTSBCTSLCTSFCTSS
SCHEMBL13624306 0.85 CTSL (0.42) CTSKCTSBCTSLCTSFTAS1R3
SCHEMBL13624304 0.84 CTSK (0.48) CTSKCTSBCTSLCTSFCTSS
SCHEMBL4365989 0.84 CTSL (0.38) CTSKCTSBCTSLCTSFCTSS
SCHEMBL4365984 0.84 CTSL (0.38) CTSKCTSBCTSLCTSFCTSS
SCHEMBL4373818 0.83 CTSK (0.54) CTSKCTSBCTSLCTSFCTSS
SCHEMBL13624172 0.83 TAS1R3 (0.47) CTSKCTSBCTSLCTSFCTSS
SCHEMBL4367886 0.82 CTSK (0.43) CTSKCTSBCTSLCTSFTAS1R3

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF CTSK 15/4885CTSB 4/4885CTSL 24/4885

“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.