SCHEMBL5801115

SCHEMBL5801115

CCCOC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC7A5 Q01650 1/20 0.58
SLC15A1 P46059 2/20 0.50
LMNA P02545 1/20 0.50
LTA4H P09960 1/20 0.47
TYR P14679 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
MAPT P10636 1/20 0.46
CHRM1 P11229 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
SRR Q9GZT4 1/20 0.45

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
SCHEMBL27926007 1.00 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5801113 1.00 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL5811213 0.98 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL5811215 0.98 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
Iodide SCHEMBL28191562 0.97 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
Sulfuric Acid SCHEMBL10354899 0.94 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2734875 0.90 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL216480 0.90 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL26359430 0.90 ALPI (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15679078 0.90 ALPI (0.66) 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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102093578-A Preparation method of shape-controllable amino-acid ester (with side group benzene ring) substituted polyphosphazene microspheres UNIV BEIJING CHEMICAL 2011-06-15 CN claimed
CN-102070670-A Purine derivatives for treating hepatitis B and preparation method and application thereof UNIV GUIYANG MEDICAL 2011-05-25 CN claimed
EP-1603549-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS Yu, Ruey J., Dr. (US) 2005-12-14 EP claimed
US-20040220264-A1 Bioavailability and improved delivery of acidic pharmaceutical drugs YU RUEY J 2004-11-04 US claimed
WO-2004082628-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS YU RUEY J (US) 2004-09-30 WO claimed
CN-1119340-C Carbamoyloxy compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2003-08-27 CN claimed
CN-1265657-A Carbamoyloxy compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN claimed
US-4898966-A ESTERIFICATION OF PHENYLALANINE HYDROCHLORIDE WITH N-PROPANOL; EFFICIENCY HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-06 US claimed
CN-120040435-A Mangiferin and derivatives thereof, preparation method and medical application thereof 安徽中医药大学 2025-05-27 CN disclosed
CN-119677866-A Substrate cleavage for nucleic acid synthesis 特韦斯特生物科学公司 2025-03-21 CN disclosed
EP-2976400-B1 ZUSAMMENSETZUNG, ENTHALTEND ALLOPHANATE VENCOREX FRANCE (FR) 2024-07-24 EP disclosed
US-11771543-B2 Poly(ester urea) adhesion barriers for use in the treatment of hernia-mesh repair THE UNIVERSITY OF AKRON (US) 2023-10-03 US disclosed
CN-107820499-B Antiviral compounds, process for their preparation, and their use for the treatment of viral infections 鲁汶大学研究与开发部 2022-11-11 CN disclosed
US-10905683-B2 Compositions and uses of amidine derivatives BIOCRYST PHARMACEUTICALS, INC. (US) 2021-02-02 US disclosed
EP-0070649-A2 ML-236B Derivatives, a process for their preparation and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1983-01-26 EP disclosed
EP-0065835-A1 M-4 and iso M-4 derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1982-12-01 EP disclosed
EP-0065843-A1 New M-4 and iso M-4 derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1982-12-01 EP disclosed
US-4246424-A IN PRESENCE OF ALKALI METAL AND POLYCYCLIC AROMATIC HYDROCARBON SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-20 US disclosed
US-4158016-A CONTACTING WITH AN ALKALI METAL POLYCYCLIC AROMATIC HYDROCARBON CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-06-12 US disclosed
US-3970700-A Racemization of optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-07-20 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 (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-10905683-B2 Compositions and uses of amidine derivatives HRH3, HRH2, HRH1 ALPI 3952/4885PKM 3116/4885PTGS1 236/4885

“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.