SCHEMBL13624420

SCHEMBL13624420

CC[C@@H](CNc1ccc(OCC(=O)N2CCCC2)cc1OC)NC(=O)[C@H](CC(C)(C)F)N[C@@H](c1ccccc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
CTSK P43235 6/20 0.37
CTSL P07711 5/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
CTSS P25774 3/20 0.37
PDK2 Q15119 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
MTTP P55157 1/20 0.35

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
SCHEMBL13624421 0.94 CTSL (0.44) CTSKCTSLCTSSPDK2
SCHEMBL4367886 0.90 CTSK (0.43) CTSKCTSLNPC1RAB9ATAS1R3
SCHEMBL4367894 0.90 CTSK (0.43) CTSKCTSLNPC1RAB9ATAS1R3
SCHEMBL4375019 0.88 CTSL (0.40) ALDH1A1CTSKCTSLNPC1RAB9A
SCHEMBL13624306 0.88 CTSL (0.42) CTSKCTSLTAS1R3TAS1R1
SCHEMBL13624172 0.87 TAS1R3 (0.47) CTSKCTSLNPC1RAB9ACTSS
SCHEMBL13624419 0.87 CTSL (0.39) CTSKCTSLNPC1RAB9APDK2
SCHEMBL13634972 0.87 CTSL (0.41) ALDH1A1CTSKCTSLTAS1R3TAS1R1
SCHEMBL13624422 0.86 CTSL (0.38) ALDH1A1CTSKCTSLNPC1RAB9A
SCHEMBL4371069 0.85 CTSL (0.44) CTSKCTSLCTSSTAS1R3TAS1R1

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 ALDH1A1 2506/4885LMNA 4790/4885CPT2 3424/4885

“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.