SCHEMBL20024993

SCHEMBL20024993

C=Cc1ccc(C[C@H](N)C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
MIF P14174 2/20 0.46
NOS2 P35228 2/20 0.42
LTA4H P09960 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
PTGS2 P35354 1/20 0.41
SLC7A5 Q01650 2/20 0.40
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
PTPRB P23467 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
SCHEMBL12028942 0.86 ALDH1A1 (0.48) ALDH1A1MIFNOS2LTA4HNOS3
SCHEMBL4073891 0.86 ALDH1A1 (0.48) ALDH1A1MIFNOS2LTA4HNOS3
SCHEMBL29956618 0.86 ALDH1A1 (0.48) ALDH1A1MIFNOS2LTA4HNOS3
SCHEMBL7510293 0.84 ALDH1A1 (0.47) ALDH1A1MIFLTA4HESR1ESR2
SCHEMBL2557114 0.83 ALDH1A1 (0.46) ALDH1A1MIFNOS2LTA4HNOS3
SCHEMBL2554121 0.83 ALDH1A1 (0.46) ALDH1A1MIFNOS2LTA4HNOS3
SCHEMBL8295626 0.82 SLC7A5 (0.49) ALDH1A1NOS2LTA4HNOS3NOS1
SCHEMBL18059440 0.82 ALDH1A1 (0.45) ALDH1A1MIFLTA4HESR1ESR2
SCHEMBL20739890 0.82 ALDH1A1 (0.45) ALDH1A1MIFLTA4HESR1ESR2
SCHEMBL12313856 0.82 MIF (0.53) ALDH1A1MIFNOS2NOS3NOS1

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-10604520-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-03-31 US disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 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 (2 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-10604520-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL ALDH1A1 524/4885TAS1R3 1749/4885TAS1R1 785/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ALDH1A1 524/4885TAS1R3 1749/4885TAS1R1 785/4885

“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.