SCHEMBL13624328

SCHEMBL13624328

COc1ccc(NC[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N[C@@H](c2ccccc2)C(F)(F)F)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.58
CTSS P25774 4/20 0.45
CTSK P43235 4/20 0.45
CTSB P07858 2/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSF Q9UBX1 1/20 0.43

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
SCHEMBL13624329 0.93 CTSL (0.52) CTSLCTSSCTSKCTSBMEN1
SCHEMBL13624321 0.92 CTSL (0.57) CTSLCTSKCTSBALDH1A1ALOX15
SCHEMBL13624330 0.88 CTSL (0.56) CTSLCTSSCTSKCTSBMEN1
SCHEMBL13624334 0.85 CTSL (0.51) CTSLCTSSCTSKCTSBMEN1
SCHEMBL4370766 0.85 CTSL (0.46) CTSLCTSSCTSKCTSBMEN1
SCHEMBL4368350 0.84 CTSL (0.45) CTSLCTSSCTSKCTSBMEN1
SCHEMBL13624345 0.84 CTSL (0.45) CTSLCTSSCTSKCTSBMEN1
SCHEMBL13624358 0.83 CTSL (0.52) CTSLCTSSCTSKCTSBMEN1
SCHEMBL13624172 0.82 TAS1R3 (0.47) CTSLCTSSCTSKCTSBMEN1
SCHEMBL13624326 0.82 CTSL (0.46) CTSLCTSKALDH1A1ALOX15MEN1

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 CTSL 24/4885CTSS 5/4885CTSK 15/4885

“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.