SCHEMBL216480

SCHEMBL216480

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
SLC7A5 Q01650 1/20 0.54
TSHR P16473 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 2/20 0.52
TYR P14679 2/20 0.51
LTA4H P09960 1/20 0.49
HSD17B10 Q99714 1/20 0.48
SLC15A1 P46059 1/20 0.47
DAGLA Q9Y4D2 1/20 0.47
CSNK1E P49674 1/20 0.47
LMNA P02545 1/20 0.45
TP53 P04637 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
SCHEMBL2734875 1.00 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL216479 0.98 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL5281599 0.98 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL299866 0.95 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL17077436 0.95 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL25200654 0.94 TYR (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL25180576 0.94 TYR (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL25180579 0.94 TYR (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL23859874 0.94 TYR (0.55) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL23510785 0.94 TYR (0.52) 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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105061230-B Method for preparing dapoxetine hydrochloride 康普药业股份有限公司 2017-04-26 CN claimed
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-121627740-A 4-Boron as medicine impurity10B) Preparation method of acid-phenylalanine butyl ester hydrochloride 中子科学(重庆)研究院有限公司 2026-03-10 CN disclosed
CN-121627740-A 4-Boron as medicine impurity10B) Preparation method of acid-phenylalanine butyl ester hydrochloride 中子科学(重庆)研究院有限公司 2026-03-10 CN disclosed
WO-2024243289-A2 GUT MICROBE DERIVED AROMATIC AMINO ACID METABOLITES FOR DETECTION AND TREATMENT OF DISEASE THE CLEVELAND CLINIC FOUNDATION (US) 2024-11-28 WO disclosed
EP-4298105-A1 COMPOUNDS USEFUL IN HIV TREATMENT VIIV Healthcare Company (US) 2024-01-03 EP disclosed
US-20230040236-A1 Diamine-Linked Melanocortin Receptor-Specific Cyclic Peptides for Ocular Indications PALATIN TECHNOLOGIES, INC. (US) 2023-02-09 US disclosed
EP-4100042-A1 REVERSE AMIDE-LINKED MELANOCORTIN RECEPTOR-SPECIFIC CYCLIC PEPTIDES Palatin Technologies, Inc. (US) 2022-12-14 EP disclosed
EP-4100040-A1 DIAMINE-LINKED RECEPTOR-SPECIFIC CYCLIC PEPTIDES Palatin Technologies, Inc. (US) 2022-12-14 EP disclosed
US-20220204450-A1 Orally Active Melanocortin Receptor-4 Compounds PALATIN TECHNOLOGIES, INC. (US) 2022-06-30 US disclosed
CN-112175031-B Uridylic acid mixed phosphoramidate compound, pharmaceutical composition and application thereof 佛山科学技术学院 2022-04-26 CN disclosed
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES, INC. 2004-06-24 US disclosed
WO-2003090691-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
EP-0920307-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM Roche Diagnostics GmbH (DE) 1999-06-09 EP disclosed
WO-1998006386-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM ROCHE DIAGNOSTICS GMBH (DE) 1998-02-19 WO disclosed
US-5510491-A 2-PROPENYL CHLOROFORMATE AND DERIVATIVES AS BLOCKING AGENTS FOR AMINO GROUPS OF PEPTIDES DURING PEPTIDE SYNTHESIS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-04-23 US disclosed
EP-0154472-B1 PROCESS FOR THE PRODUCTION OF L-ASPARTYL-L-PHENYLALANINE ESTER AJINOMOTO CO., INC. (JP) 1989-10-11 EP disclosed
EP-0302757-A2 Anti-emetic serotonin depleting agents A.H. ROBINS COMPANY, INCORPORATED (US) 1989-02-08 EP disclosed
EP-0154472-A2 Process for the production of L-aspartyl-L-phenylalanine ester AJINOMOTO CO., INC. (JP) 1985-09-11 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 (3 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-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS ALPI 1645/4885PKM 2444/4885PTGS1 2951/4885
US-20230040236-A1 Diamine-Linked Melanocortin Receptor-Specific Cyclic Peptides for Ocular Indications MC1R, MC3R, MC5R ALPI 994/4885PKM 3511/4885PTGS1 1430/4885
US-20220204450-A1 Orally Active Melanocortin Receptor-4 Compounds MC4R, MC1R, MC3R ALPI 1848/4885PKM 2768/4885PTGS1 3667/4885

“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.