SCHEMBL836552

SCHEMBL836552

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.65
CTSS P25774 7/20 0.65
CTSL P07711 2/20 0.65
CTSB P07858 1/20 0.65
CAPN1 P07384 1/20 0.60
AAK1 Q2M2I8 1/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.42
MAP1LC3A Q9H492 1/20 0.42
REN P00797 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
SCHEMBL13764937 0.88 CTSS (0.72) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL18414075 0.88 CTSS (0.72) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5556517 0.86 CTSS (0.68) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL24741085 0.85 CAPN1 (0.74) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7358427 0.83 CAPN1 (0.70) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL10871974 0.83 REN (0.51) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL10871989 0.83 REN (0.51) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL15220307 0.82 KMT2A (0.51) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL1026995 0.82 CTSS (0.60) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL17019827 0.82 MEN1 (0.46) CTSKCTSSCTSLCTSBCAPN1

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 4 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-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

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 CTSK 2282/4885CTSS 2196/4885CTSL 3275/4885

“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.