SCHEMBL20630477

SCHEMBL20630477

N[C@@H](Cc1ccccc1)c1nnc(C(=O)O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
CYP1A2 P05177 2/20 0.44
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
ROCK2 O75116 2/20 0.40
SLC15A1 P46059 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
LAP3 P28838 3/20 0.39
ANPEP P15144 1/20 0.39
EPHX1 P07099 2/20 0.39
SRR Q9GZT4 1/20 0.38
LTA4H P09960 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
SCHEMBL20630515 0.80 CYP1A2 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21925527 0.75 PIN1 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20630476 0.75 PIN1 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL393986 0.72 ALPI (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL23927455 0.71 SLC2A1 (0.41)
SCHEMBL23927456 0.71 SLC2A1 (0.41)
SCHEMBL23927497 0.71 SLC2A1 (0.41)
Trifluoroacetic Acid SCHEMBL29484058 0.70 CYP1A2 (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6785583 0.69 CYP1A2 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7507014 0.69 CYP1A2 (0.54) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3650464-B1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND SHANGPHARMA INNOVATION INC (US) 2025-11-05 EP disclosed
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 US disclosed
EP-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 EP disclosed
WO-2019007383-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND 凯惠科技发展(上海)有限公司 2019-01-10 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-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R ALPI 2329/4885PKM 2359/4885PTGS1 3602/4885

“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.