SCHEMBL4367448

SCHEMBL4367448

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
CTSL P07711 10/20 0.36
CTSB P07858 8/20 0.36
CTSK P43235 8/20 0.36
CTSS P25774 3/20 0.36
CTSF Q9UBX1 5/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4367302 0.90 TAS1R3 (0.45) TAS1R3TAS1R1CTSLCTSBCTSK
SCHEMBL4370036 0.89 CTSK (0.38) TAS1R3TAS1R1CTSLCTSBCTSK
SCHEMBL4367717 0.89 TAS1R3 (0.35) TAS1R3TAS1R1CTSLCTSBCTSK
SCHEMBL13624306 0.85 CTSL (0.42) TAS1R3TAS1R1CTSLCTSBCTSK
SCHEMBL4365989 0.84 CTSL (0.38) TAS1R3TAS1R1CTSLCTSBCTSK
SCHEMBL4365984 0.84 CTSL (0.38) TAS1R3TAS1R1CTSLCTSBCTSK
SCHEMBL13624172 0.83 TAS1R3 (0.47) TAS1R3TAS1R1CTSLCTSBCTSK
SCHEMBL4367894 0.83 CTSK (0.43) TAS1R3TAS1R1CTSLCTSBCTSK
SCHEMBL4367886 0.83 CTSK (0.43) TAS1R3TAS1R1CTSLCTSBCTSK
SCHEMBL13634972 0.83 CTSL (0.41) TAS1R3TAS1R1CTSLCTSBCTSK

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 TAS1R3 3970/4885TAS1R1 3363/4885CTSL 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.