SCHEMBL13624327

SCHEMBL13624327

CC[C@@H](CNc1ccc(OC)cc1OC)NC(=O)[C@@H](N[C@@H](c1ccccc1)C(F)(F)F)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CTSL P07711 4/20 0.38
CTSK P43235 3/20 0.38
CTSS P25774 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CTSB P07858 1/20 0.38
CTSF Q9UBX1 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL13624324 0.83 TAS1R3 (0.47) TAS1R3TAS1R1MEN1KMT2ANPC1
SCHEMBL13624172 0.83 TAS1R3 (0.47) TAS1R3TAS1R1MEN1KMT2ANPC1
SCHEMBL13624321 0.83 CTSL (0.57) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL13624323 0.83 TAS1R3 (0.46) TAS1R3TAS1R1MEN1KMT2ANPC1
SCHEMBL4367383 0.81 CTSK (0.51) TAS1R3TAS1R1MEN1KMT2AHTT
SCHEMBL13624325 0.80 CTSK (0.49) TAS1R3TAS1R1MEN1KMT2AHTT
SCHEMBL13624358 0.77 CTSL (0.52) TAS1R3TAS1R1MEN1KMT2ACTSL
SCHEMBL13624329 0.77 CTSL (0.52) MEN1KMT2ACTSLCTSKCTSS
SCHEMBL4367886 0.77 CTSK (0.43) TAS1R3TAS1R1MEN1KMT2ANPC1
SCHEMBL13624425 0.77 CTSL (0.41) TAS1R3TAS1R1MEN1KMT2AHTT

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.