SCHEMBL830751

SCHEMBL830751

CCC(C)CNC(=O)[C@H](CC(C)C)N(C)C1NC1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.37
MMP1 P03956 3/20 0.34
MMP3 P08254 3/20 0.34
CTSD P07339 3/20 0.34
CTSL P07711 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
HHAT Q5VTY9 1/20 0.33
MMP2 P08253 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL830752 0.75 CAPN1 (0.37) RENCTSL
SCHEMBL830003 0.67 MTOR (0.42) MEN1KMT2AALDH1A1MAPT
SCHEMBL829313 0.66 CYP2D6 (0.33) RENMMP1MMP3CTSDMAPT
SCHEMBL863356 0.63 CTSL (0.40) RENCTSLGPR88MMP9MMP8
SCHEMBL18239176 0.63 CTSD (0.37) RENCTSDMMP8MAPT
SCHEMBL19349021 0.62 NAMPT (0.58) KMT2AALDH1A1
SCHEMBL799425 0.62 NAMPT (0.58) KMT2AALDH1A1
SCHEMBL830163 0.60 SLC7A5 (0.45) CTSDGPR88MAPT
SCHEMBL836923 0.60 SLC7A5 (0.45) CTSDGPR88MAPT
SCHEMBL3774073 0.60 MAPT (0.44) CTSLMEN1KMT2AALDH1A1MAPT

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 2 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-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 REN 391/4885MMP1 2182/4885MMP3 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.