SCHEMBL4852056

SCHEMBL4852056

NCCC[C@@H](C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPOR P19235 2/20 0.46
FOLH1 Q04609 2/20 0.43
ALDH1A1 P00352 3/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
TPSAB1 Q15661 3/20 0.41
TPSD1 Q9BZJ3 2/20 0.41
TPSG1 Q9NRR2 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40

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
SCHEMBL9574165 1.00 EPOR (0.46) EPORFOLH1ALDH1A1SLC1A3SLC1A1
SCHEMBL10477497 1.00 EPOR (0.46) EPORFOLH1ALDH1A1SLC1A3SLC1A1
SCHEMBL3776750 0.96 EPOR (0.51) EPORFOLH1SLC1A3SLC1A1ITGB3
SCHEMBL1491987 0.96 EPOR (0.51) EPORFOLH1SLC1A3SLC1A1ITGB3
SCHEMBL22804052 0.96 EPOR (0.51) EPORFOLH1SLC1A3SLC1A1ITGB3
SCHEMBL3222447 0.91 EPOR (0.52) EPORFOLH1ITGB3ITGA2BTPSAB1
SCHEMBL28480221 0.91 TPSAB1 (0.52) EPORFOLH1ALDH1A1ITGB3ITGA2B
SCHEMBL1021829 0.91 TPSAB1 (0.52) EPORFOLH1ALDH1A1ITGB3ITGA2B
SCHEMBL5712142 0.91 TPSAB1 (0.52) EPORFOLH1ALDH1A1ITGB3ITGA2B
SCHEMBL3826716 0.91 ALDH1A1 (0.49) EPORFOLH1ALDH1A1ITGB3ITGA2B

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3853613-A1 METHODS FOR EVALUATION OF GESTATIONAL PROGRESS AND PRETERM ABORTION FOR CLINICAL INTERVENTION AND APPLICATIONS THEREOF The Board of Trustees of the Leland Stanford Junior University (US) 2021-07-28 EP disclosed
WO-2020061590-A1 METHODS FOR EVALUATION OF GESTATIONAL PROGRESS AND PRETERM ABORTION FOR CLINICAL INTERVENTION AND APPLICATIONS THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-03-26 WO disclosed
US-20080306040-A1 Antibacterial amide macrocycles VII AICURIS GMBH & CO. KG (DE) 2008-12-11 US disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 US disclosed
EP-1797110-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AiCuris GmbH & Co. KG (DE) 2007-06-20 EP disclosed
WO-2006034786-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO.KG (DE) 2006-04-06 WO disclosed
EP-0998488-B1 POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-17 EP disclosed
US-6423869-B1 BACTERICIDES, ANTIULCER AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-07-23 US disclosed
WO-2002024192-A1 DIPEPTIDE LIGANDS OF THE NPFF RECEPTOR FOR TREATING PAIN AND HYPERALGESIA INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2002-03-28 WO disclosed
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
EP-0245662-B1 P-HYDROXYPHENYLSULFONIUM SALTS AND THEIR USE IN THE PREPARATION OF ESTERS AND AMIDES SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0331988-A1 Sulfonium compounds, as well as process for producing active esters and amides used for the production of amides SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1989-09-13 EP disclosed
US-4857656-A Active esters used for production of esters or amides and process for producing esters or amides SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1989-08-15 US disclosed
US-4795595-A Taurine derivatives FARMITALIA CARLO ERBA S.P.A. (IT) 1989-01-03 US disclosed
EP-0205610-A4 HEAT STABILIZED PEPTIDE TABLE SALT SUBSTITUTES. JOYCE PATRICK JOSEPH 1988-01-25 EP disclosed
EP-0245662-A1 p-Hydroxyphenylsulfonium salts and their use in the preparation of esters and amides SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1987-11-19 EP disclosed
EP-0205610-A1 HEAT STABILIZED PEPTIDE TABLE SALT SUBSTITUTES JOYCE, Patrick Joseph (US) 1986-12-30 EP disclosed
WO-1986003944-A1 HEAT STABILIZED PEPTIDE TABLE SALT SUBSTITUTES JOYCE PATRICK J 1986-07-17 WO disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 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 (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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC EPOR 1089/4885FOLH1 3157/4885ALDH1A1 3227/4885
US-20080306040-A1 Antibacterial amide macrocycles VII AADAC, AAAS, NOD2 EPOR 1336/4885FOLH1 2530/4885ALDH1A1 3069/4885

“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.