SCHEMBL13624422

SCHEMBL13624422

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
PDK2 Q15119 1/20 0.37
CTSK P43235 3/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSB P07858 3/20 0.35
CTSF Q9UBX1 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR88 Q9GZN0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MTTP P55157 1/20 0.34

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
SCHEMBL4367894 0.90 CTSK (0.43) CTSLRAB9ANPC1CTSKTAS1R3
SCHEMBL4367886 0.90 CTSK (0.43) CTSLRAB9ANPC1CTSKTAS1R3
SCHEMBL13624306 0.90 CTSL (0.42) CTSLCTSKTAS1R3TAS1R1CTSB
SCHEMBL4375019 0.89 CTSL (0.40) CTSLRAB9ANPC1CTSKTAS1R3
SCHEMBL13624172 0.88 TAS1R3 (0.47) CTSLRAB9ANPC1CTSKTAS1R3
SCHEMBL13624419 0.88 CTSL (0.39) CTSLRAB9ANPC1PDK2CTSK
SCHEMBL13634972 0.87 CTSL (0.41) CTSLCTSKTAS1R3TAS1R1CTSB
SCHEMBL13624420 0.86 ALDH1A1 (0.37) CTSLRAB9ANPC1PDK2CTSK
SCHEMBL4371069 0.85 CTSL (0.44) CTSLCTSKTAS1R3TAS1R1CTSB
SCHEMBL13624286 0.85 CTSL (0.41) CTSLCTSKTAS1R3TAS1R1CTSB

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 24/4885RAB9A 658/4885NPC1 501/4885

“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.