SCHEMBL15071355

SCHEMBL15071355

CC(=O)C[C@@H](C#N)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 13/20 0.47
▸ CTSS P25774 13/20 0.47
▸ CTSL P07711 4/20 0.44
▸ CTSB P07858 3/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL26110455 0.87 CTSS (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL2719723 0.87 CTSS (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL26110452 0.87 CTSS (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL165351 0.87 CYP2D6 (0.53) CTSKCTSSCTSLCTSBCA1
SCHEMBL165350 0.87 CYP2D6 (0.53) CTSKCTSSCTSLCTSBCA1
SCHEMBL15259348 0.83 CTSK (0.56) CTSKCTSSCTSLCTSBCA1
SCHEMBL5958657 0.83 CTSK (0.56) CTSKCTSSCTSLCTSBCA1
SCHEMBL28668864 0.81 CYP1A2 (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL28668862 0.81 CYP1A2 (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL18762484 0.81 CTSK (0.48) CTSKCTSSCTSLCTSBCA1

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-8741927-B2 Production method of intermediate compound for synthesizing medicament LG LIFE SCIENCES LTD. (KR) 2014-06-03 — — US disclosed
US-20130165659-A1 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT LG LIFE SCIENCES LTD. (KR) 2013-06-27 — — 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-20130165659-A1 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT DPP4, DPP7, DPP8 CTSK 272/4885CTSS 437/4885CTSL 111/4885

“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.

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