SCHEMBL1603290

SCHEMBL1603290

CC(C)(C)OC(=O)NC(CCCC#N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.63
CTSK P43235 17/20 0.63
CTSL P07711 2/20 0.55
CTSB P07858 2/20 0.55

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
SCHEMBL16095226 1.00 CTSS (0.63) CTSSCTSKCTSLCTSB
SCHEMBL1603288 1.00 CTSS (0.63) CTSSCTSKCTSLCTSB
SCHEMBL13318956 0.92 CTSS (0.59) CTSSCTSKCTSLCTSB
SCHEMBL5997785 0.92 CTSS (0.59) CTSSCTSKCTSLCTSB
SCHEMBL3022636 0.92 CTSS (0.59) CTSSCTSKCTSLCTSB
SCHEMBL13318958 0.92 CTSS (0.59) CTSSCTSKCTSLCTSB
SCHEMBL6837916 0.87 CTSK (0.56) CTSSCTSKCTSLCTSB
SCHEMBL6745774 0.87 CTSK (0.56) CTSSCTSKCTSLCTSB
SCHEMBL14150791 0.87 CTSK (0.56) CTSSCTSKCTSLCTSB
SCHEMBL4656416 0.87 CTSK (0.51) CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113853236-A Stabilizing peptides of PACAP 千寿制药株式会社 2021-12-28 CN disclosed
WO-2020230867-A1 STABILIZED PACAP PEPTIDE 千寿製薬株式会社 2020-11-19 WO disclosed
US-10029956-B2 Therapies for cancer using isotopically substituted lysine RETROTOPE, INC. (US) 2018-07-24 US disclosed
US-9840457-B2 Lysine isotopologues, compositions comprising the same and methods of synthesis CAMBRIDGE ISOTOPE LABORATORIES, INC. (US) 2017-12-12 US disclosed
EP-2268604-B1 THERAPIES FOR CANCER USING ISOTOPICALLY SUBSTITUTED LYSINE RETROTOPE INC (US) 2017-02-15 EP disclosed
US-20160016890-A1 LYSINE ISOTOPOLOGUES, COMPOSITIONS COMPRISING THE SAME AND METHODS OF SYNTHESIS CAMBRIDGE ISOTOPE LABORATORIES, INC. 2016-01-21 US disclosed
WO-2014150909-A1 LYSINE ISOTOPOLOGUES, COMPOSITIONS COMPRISING THE SAME AND METHODS OF SYNTHESIS CAMBRIDGE ISOTOPE LABORATORIES, INC. (US) 2014-09-25 WO disclosed
US-20110082208-A1 THERAPIES FOR CANCER USING ISOTOPICALLY SUBSTITUTED LYSINE BIOJIVA LLC 2011-04-07 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 (3 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-20110082208-A1 THERAPIES FOR CANCER USING ISOTOPICALLY SUBSTITUTED LYSINE AADAT, DOT1L, TP53 CTSS 493/4885CTSK 174/4885CTSL 416/4885
US-20160016890-A1 LYSINE ISOTOPOLOGUES, COMPOSITIONS COMPRISING THE SAME AND METHODS OF SYNTHESIS PLOD1, PHYKPL, AADAT CTSS 2046/4885CTSK 785/4885CTSL 2132/4885
US-10029956-B2 Therapies for cancer using isotopically substituted lysine AADAT, DOT1L, TP53 CTSS 493/4885CTSK 174/4885CTSL 416/4885

“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.