SCHEMBL7205806

SCHEMBL7205806

NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.58
MMP2 P08253 6/20 0.58
MMP3 P08254 6/20 0.58
LTA4H P09960 2/20 0.41
CPB2 Q96IY4 4/20 0.40
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 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
Hydrochloric Acid SCHEMBL7205132 0.99 MMP1 (0.57) MMP1MMP2MMP3LTA4HCPB2
SCHEMBL9146938 0.90 LTA4H (0.50) MMP1MMP2MMP3LTA4HCPB2
SCHEMBL9146946 0.90 LTA4H (0.50) MMP1MMP2MMP3LTA4HCPB2
SCHEMBL4960993 0.85 MMP1 (0.44) MMP1MMP2MMP3LTA4HCPB2
SCHEMBL27182937 0.85 MMP1 (0.44) MMP1MMP2MMP3LTA4HCPB2
SCHEMBL30799798 0.82 LTA4H (0.49) MMP1MMP2MMP3LTA4HCPB2
SCHEMBL26176491 0.82 MMP1 (0.49) MMP1MMP2MMP3CPB2CHRNB2
SCHEMBL27182830 0.81 CTSK (0.47) MMP1MMP2MMP3LTA4HCPB2
SCHEMBL22827993 0.80 MMP1 (0.53) MMP1MMP2MMP3LTA4HCPB2
SCHEMBL13735669 0.79 MMP1 (0.47) MMP1MMP2MMP3CPB2GRN

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384272-B2 FORMATION OF AMMONIUM SALT OF (ALPHA-ASPARTYL)PHENYLALANINE BY AMIDATION OF ESTER OF (ALPHA-ASPARTYL)PHENYLALANINE, THEN (ALPHA-ASPARTYL)-BETA-CYCLOHEXYLALANINAMIDE IS OBTAINED BY CATALYTIC HYDROGENATION AVENTIS PHARMA S.A. (FR) 2002-05-07 US claimed
EP-1084138-B1 METHOD FOR PREPARING ASPARTYL CYCLOHEXYLALANINAMIDE AVENTIS PHARMA SA (FR) 2002-01-30 EP claimed
US-20010034460-A1 Method for preparing aspartylcyclohexyla laninamide AVENTIS PHARMA S.A. (FR) 2001-10-25 US claimed
EP-1084138-A1 METHOD FOR PREPARING ASPARTYL CYCLOHEXYLALANINAMIDE Aventis Pharma S.A. (FR) 2001-03-21 EP claimed
WO-1999064443-A1 METHOD FOR PREPARING ASPARTYL CYCLOHEXYLALANINAMIDE AVENTIS PHARMA S.A. (FR) 1999-12-16 WO claimed
EP-1030831-A4 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARM PROD INC (US) 2003-01-02 EP disclosed
US-6384272-B2 FORMATION OF AMMONIUM SALT OF (ALPHA-ASPARTYL)PHENYLALANINE BY AMIDATION OF ESTER OF (ALPHA-ASPARTYL)PHENYLALANINE, THEN (ALPHA-ASPARTYL)-BETA-CYCLOHEXYLALANINAMIDE IS OBTAINED BY CATALYTIC HYDROGENATION AVENTIS PHARMA S.A. (FR) 2002-05-07 US disclosed
US-6384272-B2 FORMATION OF AMMONIUM SALT OF (ALPHA-ASPARTYL)PHENYLALANINE BY AMIDATION OF ESTER OF (ALPHA-ASPARTYL)PHENYLALANINE, THEN (ALPHA-ASPARTYL)-BETA-CYCLOHEXYLALANINAMIDE IS OBTAINED BY CATALYTIC HYDROGENATION AVENTIS PHARMA S.A. (FR) 2002-05-07 US disclosed
EP-1084138-B1 METHOD FOR PREPARING ASPARTYL CYCLOHEXYLALANINAMIDE AVENTIS PHARMA SA (FR) 2002-01-30 EP disclosed
US-20010034460-A1 Method for preparing aspartylcyclohexyla laninamide AVENTIS PHARMA S.A. (FR) 2001-10-25 US disclosed
US-20010034460-A1 Method for preparing aspartylcyclohexyla laninamide AVENTIS PHARMA S.A. (FR) 2001-10-25 US disclosed
EP-1084138-A1 METHOD FOR PREPARING ASPARTYL CYCLOHEXYLALANINAMIDE Aventis Pharma S.A. (FR) 2001-03-21 EP disclosed
US-6180759-B1 PREPARING AZACYCLOALKANOYLPSEUDOTETRAPEPTIDES COMPRISING COUPLING A DIPEPTIDE WITH A PSEUDODIPEPTIDE; FOR EXAMPLE, N-(N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL)-(L)-ALPHA-ASPARTYL-3 -CYCLOHEXYL-(L)-ALANINEAMIDE; USE AS ANTICOAGULANTS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-01-30 US disclosed
EP-1030831-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999064443-A1 METHOD FOR PREPARING ASPARTYL CYCLOHEXYLALANINAMIDE AVENTIS PHARMA S.A. (FR) 1999-12-16 WO disclosed
WO-1999064443-A1 METHOD FOR PREPARING ASPARTYL CYCLOHEXYLALANINAMIDE AVENTIS PHARMA S.A. (FR) 1999-12-16 WO disclosed
WO-1999019294-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. LEGAL/PATENTS (US) 1999-04-22 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-20010034460-A1 Method for preparing aspartylcyclohexyla laninamide ASNS, DNPEP, ANPEP MMP1 1030/4885MMP2 523/4885MMP3 508/4885

“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.