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.

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