SCHEMBL13624343

SCHEMBL13624343

COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)N[C@@H](c2cccnc2)C(F)(F)F)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTSL P07711 7/20 0.43
CTSK P43235 6/20 0.43
CTSS P25774 5/20 0.43
CTSB P07858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HKDC1 Q2TB90 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL13624334 0.90 CTSL (0.51) CTSLCTSKCTSSCTSBKMT2A
SCHEMBL13624348 0.87 GAA (0.41) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13624344 0.87 CTSL (0.45) CTSLCTSKCTSSCTSBSMN1; SMN2
SCHEMBL13624404 0.84 CTSK (0.46) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13624342 0.83 CTSK (0.54) CTSLCTSKCTSSCTSB
SCHEMBL13624329 0.82 CTSL (0.52) CTSLCTSKCTSSCTSBKMT2A
SCHEMBL13624341 0.82 CTSL (0.45) CTSLCTSKCTSSCTSBSMN1; SMN2
SCHEMBL13624303 0.82 CTSK (0.38) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13624330 0.81 CTSL (0.56) CTSLCTSKCTSSCTSBSMN1; SMN2
SCHEMBL13624358 0.79 CTSL (0.52) CTSLCTSKCTSSCTSBSMN1; SMN2

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 GAA 2184/4885CYP1A2 3323/4885CYP3A4 1650/4885

“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.