SCHEMBL4728748

SCHEMBL4728748

N[C@@H](C(=O)O)[C@@H](O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
NR1I2 O75469 1/20 0.58
PTGS1 P23219 1/20 0.58
ADRA1A P35348 1/20 0.58
BLM P54132 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ADRA2A P08913 1/20 0.56
ADRA2C P18825 1/20 0.56
HIF1A Q16665 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ACHE P22303 1/20 0.51
DPP4 P27487 2/20 0.50
CYP2D6 P10635 1/20 0.50
SRC P12931 1/20 0.50
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47

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
SCHEMBL16816913 1.00 LMNA (0.58) LMNANR1I2PTGS1ADRA1ABLM
SCHEMBL17982719 1.00 LMNA (0.58) LMNANR1I2PTGS1ADRA1ABLM
SCHEMBL10535250 1.00 LMNA (0.58) LMNANR1I2PTGS1ADRA1ABLM
SCHEMBL8229978 1.00 LMNA (0.58) LMNANR1I2PTGS1ADRA1ABLM
SCHEMBL751652 1.00 LMNA (0.58) LMNANR1I2PTGS1ADRA1ABLM
SCHEMBL4086543 1.00 LMNA (0.58) LMNANR1I2PTGS1ADRA1ABLM
SCHEMBL210030 1.00 LMNA (0.58) LMNANR1I2PTGS1ADRA1ABLM
SCHEMBL8528068 1.00 LMNA (0.58) LMNANR1I2PTGS1ADRA1ABLM
SCHEMBL443815 1.00 LMNA (0.58) LMNANR1I2PTGS1ADRA1ABLM
Hydrochloric Acid SCHEMBL6946154 0.98 ALDH1A1 (0.57) LMNANR1I2PTGS1ADRA1ABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085554-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
US-20240209026-A1 A4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
US-20240209026-A1 A4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
US-11840581-B2 α4β7 thioether peptide dimer antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-11840581-B2 α4β7 thioether peptide dimer antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-20230063321-A1 Methods for Treating Inflammatory Bowel Diseases with alpha4beta7 Integrin Antagonists PROTAGONIST THERAPEUTICS, INC. 2023-03-02 US disclosed
EP-3960754-A2 ALPHA4BETA7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS Protagonist Therapeutics, Inc. (US) 2022-03-02 EP disclosed
US-20210371466-A1 NOVEL a4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2021-12-02 US disclosed
EP-3143037-B1 ALPHA4BETA7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS INC (US) 2021-06-23 EP disclosed
CN-107709334-B Novel amino acid derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-04-13 CN disclosed
US-9714270-B2 a4B7 integrin thioether peptide antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2017-07-25 US disclosed
US-9695112-B2 Method for synthesizing optically active α-amino acid using chiral metal complex comprising axially chiral N-(2-acylaryl)-2-[5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl] acetamide compound and amino acid HAMARI CHEMICALS, LTD. (JP) 2017-07-04 US disclosed
US-9695112-B2 Method for synthesizing optically active α-amino acid using chiral metal complex comprising axially chiral N-(2-acylaryl)-2-[5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl] acetamide compound and amino acid HAMARI CHEMICALS, LTD. (JP) 2017-07-04 US disclosed
US-20160102045-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE a-AMINO ACID USING CHIRAL METAL COMPLEX COMPRISING AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL] ACETAMIDE COMPOUND AND AMINO ACID HAMARI CHEMICALS, LTD. (JP) 2016-04-14 US disclosed
US-20160102045-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE a-AMINO ACID USING CHIRAL METAL COMPLEX COMPRISING AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL] ACETAMIDE COMPOUND AND AMINO ACID HAMARI CHEMICALS, LTD. (JP) 2016-04-14 US disclosed
US-20160031944-A1 a4B7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2016-02-04 US disclosed
US-20160031944-A1 a4B7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2016-02-04 US disclosed
WO-2015176035-A1 α4β7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2015-11-19 WO disclosed
EP-2353714-A1 ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2011-08-10 EP disclosed
WO-2008054233-A2 PROCESS FOR THE PREPARATION OF DOCETAXEL INSTYTUT FARMACEUTYCZNY (PL) 2008-05-08 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 (6 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-20160031944-A1 a4B7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS ITGB7, EPCAM, ITGB4 LMNA 4610/4885NR1I2 2013/4885PTGS1 3098/4885
US-20210371466-A1 NOVEL a4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS EPCAM, ITGB7, EPB41 LMNA 4748/4885NR1I2 1809/4885PTGS1 3336/4885
US-20230063321-A1 Methods for Treating Inflammatory Bowel Diseases with alpha4beta7 Integrin Antagonists ITGB7, ITGB4, ITGA4 LMNA 4741/4885NR1I2 1764/4885PTGS1 2330/4885
US-20160102045-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE a-AMINO ACID USING CHIRAL METAL COMPLEX COMPRISING AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL] ACETAMIDE COMPOUND AND AMINO ACID AADAT, ALDH7A1, BCAT1 LMNA 1602/4885NR1I2 3420/4885PTGS1 2002/4885
US-11840581-B2 α4β7 thioether peptide dimer antagonists EPCAM, SELPLG, VCAM1 LMNA 4672/4885NR1I2 1782/4885PTGS1 3491/4885
US-20240209026-A1 A4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS EPCAM, ANXA7, GRB7 LMNA 4648/4885NR1I2 1851/4885PTGS1 2468/4885

“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.