SCHEMBL830752

SCHEMBL830752

CCC(C)CNC(=O)[C@H](CC(C)C)NCC1NC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.37
CTSL P07711 4/20 0.37
CTSK P43235 4/20 0.37
CTSS P25774 4/20 0.37
CTSB P07858 3/20 0.37
REN P00797 3/20 0.36
ANPEP P15144 2/20 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
SCHEMBL836084 0.84 MMP1 (0.42) CAPN1
SCHEMBL836791 0.81 CAPN1 (0.38) CAPN1CTSLCTSKCTSSCTSB
SCHEMBL863187 0.79 ELANE (0.46) ANPEP
SCHEMBL830751 0.75 REN (0.37) CTSLREN
SCHEMBL863356 0.71 CTSL (0.40) CTSLCTSKCTSSCTSBREN
SCHEMBL863107 0.69 CAPN1 (0.50) CAPN1
SCHEMBL3774071 0.67 MAPT (0.44) CAPN1CTSLCTSKCTSSCTSB
SCHEMBL3774073 0.67 MAPT (0.44) CAPN1CTSLCTSKCTSSCTSB
SCHEMBL835828 0.67 MMP9 (0.50)
SCHEMBL18239176 0.62 CTSD (0.37) RENANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143375-B2 Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-27 US disclosed
US-8143375-B2 Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-27 US disclosed
US-8143375-B2 Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-27 US disclosed
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 2010-12-16 US disclosed
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 2010-12-16 US disclosed
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 2010-12-16 US disclosed
WO-2008046232-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION YUDIN ANDREI K (CA) 2008-04-24 WO 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-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION QDPR, VIP, AAAS CAPN1 4289/4885CTSL 3275/4885CTSK 2282/4885

“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.