SCHEMBL13624172

SCHEMBL13624172

CC[C@@H](CNc1ccc(OC)cc1OC)NC(=O)[C@H](CC(C)(C)F)N[C@@H](c1ccccc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSL P07711 7/20 0.45
CTSK P43235 2/20 0.42
HTT P42858 1/20 0.41
CTSB P07858 6/20 0.41
CTSF Q9UBX1 5/20 0.41
LPAR1 Q92633 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL13624323 0.96 TAS1R3 (0.46) TAS1R3TAS1R1MEN1KMT2ACTSL
SCHEMBL4367734 0.93 CTSL (0.41) TAS1R3TAS1R1MEN1KMT2ACTSL
SCHEMBL4367894 0.93 CTSK (0.43) TAS1R3TAS1R1MEN1KMT2ACTSL
SCHEMBL13634972 0.93 CTSL (0.41) TAS1R3TAS1R1MEN1KMT2ACTSL
SCHEMBL4370748 0.93 CTSL (0.41) TAS1R3TAS1R1MEN1KMT2ACTSL
SCHEMBL4370734 0.93 CTSL (0.41) TAS1R3TAS1R1MEN1KMT2ACTSL
SCHEMBL13624425 0.93 CTSL (0.41) TAS1R3TAS1R1MEN1KMT2ACTSL
SCHEMBL4367724 0.93 CTSL (0.41) TAS1R3TAS1R1MEN1KMT2ACTSL
SCHEMBL4367886 0.93 CTSK (0.43) TAS1R3TAS1R1MEN1KMT2ACTSL
SCHEMBL4367302 0.93 TAS1R3 (0.45) TAS1R3TAS1R1MEN1KMT2ACTSL

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-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 3363/4885MEN1 1994/4885

“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.