SCHEMBL21925529

SCHEMBL21925529

C=CCOC(=O)[C@@H](N)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CASP1 P29466 6/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIF11 P52732 4/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35

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
SCHEMBL21925531 1.00 CYP3A4 (0.40) CYP3A4ALDH1A1TSHRHSD17B10CASP1
SCHEMBL8221884 0.82 KIF11 (0.49) CYP3A4KMT2AMAPK1KIF11
SCHEMBL8227058 0.82 KIF11 (0.49) CYP3A4KMT2AMAPK1KIF11
SCHEMBL12038603 0.82 LTA4H (0.44) ALDH1A1KMT2AMAPK1SMN1; SMN2SLC1A3
SCHEMBL16582480 0.82 LTA4H (0.44) ALDH1A1KMT2AMAPK1SMN1; SMN2SLC1A3
SCHEMBL30354966 0.79 LTA4H (0.45) CYP3A4MAPTMAPK1KIF11SLC1A3
SCHEMBL25209459 0.79 SLC1A3 (0.53) PKMKIF11SLC1A3SLC1A2SLC1A1
SCHEMBL21690461 0.79 SLC1A3 (0.53) PKMKIF11SLC1A3SLC1A2SLC1A1
SCHEMBL17477557 0.79 SLC1A3 (0.53) PKMKIF11SLC1A3SLC1A2SLC1A1
Water SCHEMBL29400657 0.78 SLC1A3 (0.51) PKMKIF11SLC1A3SLC1A2SLC1A1

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
CN-116813705-A Peptide compound, application thereof and composition containing peptide compound 凯惠科技发展(上海)有限公司 2023-09-29 CN 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
CN-109206481-A Peptide compound, application thereof and composition containing peptide compound 凯惠科技发展(上海)有限公司 2019-01-15 CN 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 CYP3A4 4283/4885ALDH1A1 4326/4885TSHR 2086/4885

“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.