SCHEMBL17138236

SCHEMBL17138236

CO[C@H](CC(=O)OC(C)(C)C)[C@H](C1CCCC1)N(C)C(=O)C(NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.47
CTSB P07858 4/20 0.47
CTSK P43235 4/20 0.47
CTSS P25774 3/20 0.47
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
CAPN1 P07384 3/20 0.42
ELANE P08246 2/20 0.40
CCR1 P32246 1/20 0.40
SYK P43405 1/20 0.40
BACE1 P56817 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CMA1 P23946 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
SCHEMBL17138232 1.00 CTSL (0.47) CTSLCTSBCTSKCTSSCASP1
SCHEMBL7068363 0.85 CTSL (0.52) CTSLCTSBCTSKCTSSCASP1
SCHEMBL17138238 0.84 CTSL (0.51) CTSLCTSBCTSKCTSSCASP1
SCHEMBL25729774 0.82 CTSL (0.49) CTSLCTSBCTSKCTSSCASP1
SCHEMBL17337823 0.82 CTSL (0.49) CTSLCTSBCTSKCTSSCASP1
SCHEMBL13733424 0.82 CTSL (0.49) CTSLCTSBCTSKCTSSCASP1
SCHEMBL10092295 0.82 CTSL (0.49) CTSLCTSBCTSKCTSSCASP1
SCHEMBL17337822 0.82 CTSL (0.49) CTSLCTSBCTSKCTSSCASP1
SCHEMBL21066001 0.82 CTSL (0.49) CTSLCTSBCTSKCTSSCASP1
SCHEMBL30427782 0.80 CTSL (0.55) CTSLCTSBCTSKCTSSCASP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158307-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2016-06-09 US disclosed
US-9260478-B2 Potent and efficient cytotoxic peptides and antibody-drug conjugates thereof and their synthesis HU SHANGHUI (US) 2016-02-16 US disclosed
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2015-10-08 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 (2 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-20160158307-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis NGLY1, VIP, DNPEP CTSL 446/4885CTSB 322/4885CTSK 460/4885
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis NGLY1, VIP, DNPEP CTSL 446/4885CTSB 322/4885CTSK 460/4885

“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.