SCHEMBL17138238

SCHEMBL17138238

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.51
CTSB P07858 5/20 0.51
CTSK P43235 5/20 0.51
CTSS P25774 5/20 0.51
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
CCR1 P32246 1/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
CAPN1 P07384 1/20 0.40
ELANE P08246 1/20 0.40
CYP3A4 P08684 4/20 0.40
TSHR P16473 3/20 0.40

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
SCHEMBL8634476 0.85 CTSL (0.57) CTSLCTSBCTSKCTSSMEN1
SCHEMBL17138236 0.84 CTSL (0.47) CTSLCTSBCTSKCTSSCASP1
SCHEMBL17138232 0.84 CTSL (0.47) CTSLCTSBCTSKCTSSCASP1
SCHEMBL17138254 0.78 L3MBTL1 (0.43) MEN1LMNAKMT2A
SCHEMBL5689428 0.75 CTSL (0.66) CTSLCTSBCTSKCTSSCASP1
SCHEMBL6611310 0.72 TRPM8 (0.56) CTSLCTSBCTSKCTSSELANE
SCHEMBL15130921 0.72 CTSL (0.72) CTSLCTSBCTSKCTSSMEN1
SCHEMBL2580714 0.72 CTSL (0.52) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL3221965 0.72 CTSL (0.52) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL3221956 0.72 CTSL (0.52) CTSLCTSBCTSKCTSSCAPN1

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.