SCHEMBL863107

SCHEMBL863107

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.50
MMP3 P08254 10/20 0.44
MMP1 P03956 3/20 0.43
MMP9 P14780 2/20 0.43
MMP2 P08253 7/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAN2A1 Q16706 1/20 0.39
MAN1B1 Q9UKM7 1/20 0.39

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
SCHEMBL862887 0.84 SMN1; SMN2 (0.44) LMNAMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL863183 0.84 SMN1; SMN2 (0.44) LMNAMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL831187 0.81 CAPN1 (0.44) CAPN1MMP3MMP1MMP9MMP2
SCHEMBL831188 0.81 CAPN1 (0.44) CAPN1MMP3MMP1MMP9MMP2
SCHEMBL836084 0.77 MMP1 (0.42) CAPN1MMP3MMP1MMP9MMP2
Hydrochloric Acid SCHEMBL27149970 0.73 CAPN1 (0.58) CAPN1MMP3MMP1MMP9MMP2
SCHEMBL18762481 0.73 CAPN1 (0.65) CAPN1MMP3MMP1MMP9MMP2
Hydrochloric Acid SCHEMBL27144833 0.73 CAPN1 (0.58) CAPN1MMP3MMP1MMP9MMP2
SCHEMBL27560922 0.72 MMP3 (0.56) CAPN1MMP3MMP1MMP9MMP2
SCHEMBL836791 0.71 CAPN1 (0.38) CAPN1MMP3MMP1MMP9ALDH1A1

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 CAPN1 4289/4885MMP3 3996/4885MMP1 2182/4885

“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.