SCHEMBL836084

SCHEMBL836084

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.42
MMP2 P08253 9/20 0.42
MMP3 P08254 6/20 0.42
CNR2 P34972 1/20 0.42
MMP9 P14780 7/20 0.39
MMP8 P22894 4/20 0.39
MMP7 P09237 3/20 0.39
FCER2 P06734 1/20 0.39
MMP14 P50281 2/20 0.39
CAPN1 P07384 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL836791 0.87 CAPN1 (0.38) MMP1MMP3MMP9MMP8MMP14
SCHEMBL863187 0.85 ELANE (0.46)
SCHEMBL830752 0.84 CAPN1 (0.37) CAPN1
SCHEMBL863107 0.77 CAPN1 (0.50) MMP1MMP2MMP3MMP9CAPN1
SCHEMBL830004 0.76 MEN1 (0.41)
SCHEMBL835828 0.72 MMP9 (0.50) MMP3MMP9MMP8MMP14
SCHEMBL18775044 0.70 MMP1 (0.47) MMP1MMP2MMP3CNR2MMP9
SCHEMBL14223152 0.70 HTR2C (0.47)
SCHEMBL23470237 0.67 CTSL (0.70) MMP1MMP2MMP3CNR2
SCHEMBL10086436 0.67 MMP1 (0.45) MMP1MMP2MMP3CNR2MMP9

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 5 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
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 MMP1 2182/4885MMP2 2884/4885MMP3 3996/4885

“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.