SCHEMBL831187

SCHEMBL831187

CC(C)C[C@H](NC[C@H]1N[C@@H]1CO[Si](C)(C)C(C)(C)C)C(=O)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.44
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
MMP3 P08254 8/20 0.38
MMP2 P08253 5/20 0.38
FPR2 P25090 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KLK7 P49862 1/20 0.36

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
SCHEMBL831188 1.00 CAPN1 (0.44) CAPN1MAPTMAPK1KMT2AATM
SCHEMBL830811 0.87 SMN1; SMN2 (0.37) CAPN1MAPTKMT2ANPC1POLB
SCHEMBL830810 0.87 SMN1; SMN2 (0.37) CAPN1MAPTKMT2ANPC1POLB
SCHEMBL830918 0.87 SMN1; SMN2 (0.37) CAPN1MAPTKMT2ANPC1POLB
SCHEMBL863107 0.81 CAPN1 (0.50) CAPN1MAPTKMT2AMMP3MMP2
SCHEMBL831186 0.78 KMT2A (0.37) CAPN1MAPTMAPK1KMT2AATM
SCHEMBL830917 0.73 MAPT (0.35) CAPN1MAPTKMT2ANPC1POLB
SCHEMBL830809 0.73 MAPT (0.35) CAPN1MAPTKMT2ANPC1POLB
SCHEMBL836084 0.66 MMP1 (0.42) CAPN1MMP3MMP2MMP1MMP9
SCHEMBL863183 0.66 SMN1; SMN2 (0.44) MAPTKMT2AATMNPC1POLB

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 CAPN1 4289/4885MAPT 4393/4885MAPK1 3118/4885

“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.