SCHEMBL7516952

SCHEMBL7516952

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.53
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CASP3 P42574 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8760770 1.00 LTA4H (0.53) LTA4HS1PR1S1PR3NPC1RAB9A
SCHEMBL3954076 0.86 LTA4H (0.67) LTA4HS1PR1S1PR3SMN1; SMN2TAAR1
SCHEMBL2309395 0.86 LTA4H (0.67) LTA4HS1PR1S1PR3SMN1; SMN2TAAR1
SCHEMBL12886499 0.86 SMN1; SMN2 (0.53) LTA4HS1PR1S1PR3NPC1RAB9A
Hydrochloric Acid SCHEMBL27450918 0.84 LTA4H (0.65) LTA4HS1PR1S1PR3TAAR1MEN1
Hydrochloric Acid SCHEMBL7363569 0.84 LTA4H (0.65) LTA4HS1PR1S1PR3TAAR1MEN1
Bromide SCHEMBL11428373 0.81 TAAR1 (0.61) LTA4HNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL8761898 0.81 MMP9 (0.57) LTA4HMEN1KMT2AALDH1A1MAPT
SCHEMBL8761863 0.81 MMP9 (0.57) LTA4HMEN1KMT2AALDH1A1MAPT
SCHEMBL9116086 0.81 LTA4H (0.45) LTA4HSMN1; SMN2MEN1KMT2AMME

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
WO-2001022985-A9 USE OF PENTAGASTRIN TO INHIBIT GASTRIC ACID SECRETION OR AS A DIURETIC UNIV CALIFORNIA (US) 2002-09-26 WO 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-20010034460-A1 Method for preparing aspartylcyclohexyla laninamide AVENTIS PHARMA S.A. (FR) 2001-10-25 US disclosed
WO-2001022985-A1 USE OF PENTAGASTRIN TO INHIBIT GASTRIC ACID SECRETION OR AS A DIURETIC THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-04-05 WO disclosed
EP-1013663-A1 Synthesis and recovery of aspartame involving enzymatic deformylation step Holland Sweetener Company V.O.F. (NL) 2000-06-28 EP 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 LTA4H 1778/4885S1PR1 3785/4885S1PR3 4206/4885

“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.