SCHEMBL4365984

SCHEMBL4365984

CC[C@@H](CNc1ccc(OCC(=O)OCc2ccccc2)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 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.38
CTSB P07858 7/20 0.38
CTSF Q9UBX1 6/20 0.38
CTSK P43235 3/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
SYK P43405 1/20 0.33
CTSS P25774 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
SCHEMBL4365989 1.00 CTSL (0.38) CTSLCTSBCTSFCTSKMEN1
SCHEMBL4367302 0.87 TAS1R3 (0.45) CTSLCTSBCTSFCTSKMEN1
SCHEMBL4367894 0.86 CTSK (0.43) CTSLCTSBCTSFCTSKMEN1
SCHEMBL4367886 0.86 CTSK (0.43) CTSLCTSBCTSFCTSKMEN1
SCHEMBL4375019 0.84 CTSL (0.40) CTSLCTSBCTSFCTSKMEN1
SCHEMBL4367448 0.84 TAS1R3 (0.36) CTSLCTSBCTSFCTSKALDH1A1
SCHEMBL4370036 0.84 CTSK (0.38) CTSLCTSBCTSFCTSKTAS1R3
SCHEMBL13624172 0.83 TAS1R3 (0.47) CTSLCTSBCTSFCTSKMEN1
SCHEMBL13624419 0.83 CTSL (0.39) CTSLCTSBCTSFCTSKMEN1
SCHEMBL4367717 0.83 TAS1R3 (0.35) CTSLCTSBCTSFCTSKALDH1A1

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 CTSL 24/4885CTSB 4/4885CTSF 3/4885

“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.