SCHEMBL4364936

SCHEMBL4364936

CC[C@H](CNc1ccc(OC(C)(C)C(=O)O)cc1OC)NC(=O)[C@H](CC(C)(C)F)N[C@@H](Cc1ccccc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 3/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
CTSL P07711 7/20 0.36
CTSB P07858 4/20 0.36
CTSF Q9UBX1 4/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTSS P25774 1/20 0.34
CTSD P07339 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
PPARD Q03181 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4364927 1.00 TAS1R3 (0.38) TAS1R3TAS1R1MAPTTDP1CTSK
SCHEMBL4367873 0.90 MAPT (0.35) TAS1R3TAS1R1MAPTTDP1CTSK
SCHEMBL4367724 0.88 CTSL (0.41) TAS1R3TAS1R1CTSKALDH1A1CTSL
SCHEMBL4367734 0.88 CTSL (0.41) TAS1R3TAS1R1CTSKALDH1A1CTSL
SCHEMBL13624425 0.82 CTSL (0.41) TAS1R3TAS1R1CTSKALDH1A1CTSL
SCHEMBL13624172 0.81 TAS1R3 (0.47) TAS1R3TAS1R1CTSKCTSLCTSB
SCHEMBL13624409 0.79 CTSK (0.42) TAS1R3TAS1R1CTSKCTSLMEN1
SCHEMBL13624321 0.79 CTSL (0.57) TAS1R3TAS1R1MAPTTDP1CTSK
SCHEMBL4370341 0.78 CTSL (0.37) TAS1R3TAS1R1CTSKCTSLCTSB
SCHEMBL13624390 0.78 CTSL (0.39) TAS1R3TAS1R1CTSKALDH1A1CTSL

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 1 patent. 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

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 3363/4885MAPT 480/4885

“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.