SCHEMBL1369714

SCHEMBL1369714

CC(=O)Oc1ccccc1C([O])=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.71
KDM4E B2RXH2 4/20 0.71
HSD17B10 Q99714 4/20 0.71
HPGD P15428 3/20 0.71
ALDH1A1 P00352 1/20 0.71
ESR1 P03372 1/20 0.71
ITGB3 P05106 1/20 0.71
ITGA2B P08514 1/20 0.71
HMGB1 P09429 1/20 0.71
TSHR P16473 1/20 0.71
GGT1 P19440 1/20 0.71
PTGS1 P23219 1/20 0.71
BLM P54132 1/20 0.71
NAPRT Q6XQN6 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
MAPK1 P28482 1/20 0.55
KMT2A Q03164 3/20 0.50

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
SCHEMBL11017487 0.85 PTGS2 (0.74) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL11050544 0.85 KDM4E (0.74) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL189443 0.85 PTGS2 (0.74) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL1939134 0.84 KDM4E (0.67) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL3689374 0.84 KDM4E (0.92) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL10456693 0.83 KDM4E (1.00) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL7580 0.83 KDM4E (1.00) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL1353 0.83 KDM4E (1.00) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL1331740 0.83 KDM4E (1.00) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL29350479 0.83 KDM4E (1.00) PTGS2KDM4EHSD17B10HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2514739-B1 Substituted beta-phenyl-alpha-hydroxy propanoic acid, synthesis method and use thereof UNIV NORTHWEST (CN) 2016-12-21 EP claimed
EP-2514739-A1 Substituted beta-phenyl-alpha-hydroxy propanoic acid, synthesis method and use thereof Northwest University (CN) 2012-10-24 EP claimed
US-8017786-B2 Substituted β-phenyl-α-hydroxy-propanoic acid, synthesis method and use thereof NORTHWEST UNIVERSITY (CN) 2011-09-13 US claimed
US-20090131677-A1 SUBSTITUTED BETA-PHENYL-ALPHA-HYDROXY-PROPANOIC ACID, SYNTHESIS METHOD AND USE THEREOF NORTHWEST UNIVERSITY (CN) 2009-05-21 US claimed
EP-2019090-A1 SUBSTITUTED BETA-PHENYL-ALPHA-HYDROXY PROPANOIC ACID, SYNTHESIS METHOD AND USE THEREOF Northwest University (CN) 2009-01-28 EP claimed
WO-2008012603-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF DIFLUNISAL AND RELATED COMPOUNDS WITH VERY FAST SKIN PENETRATION RATE TECHFIELDS BIOCHEM CO. LTD (CN) 2008-01-31 WO claimed
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US disclosed
US-20210128561-A1 MRGX Receptor Antagonists KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2021-05-06 US disclosed
US-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 US disclosed
EP-2514739-B1 Substituted beta-phenyl-alpha-hydroxy propanoic acid, synthesis method and use thereof UNIV NORTHWEST (CN) 2016-12-21 EP disclosed
EP-2514739-A1 Substituted beta-phenyl-alpha-hydroxy propanoic acid, synthesis method and use thereof Northwest University (CN) 2012-10-24 EP disclosed
US-6020426-A BLOCK OR GRAFT COPOLYMER FUJI XEROX CO., LTD. (JP) 2000-02-01 US disclosed
US-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 US disclosed
US-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed
EP-0379174-A2 2,3-Dihydro-3,3-dimethyl-5-trifluoromethanesulfonyloxybenzofurans, process for producing them and herbicides containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-07-25 EP disclosed
US-4537856-A WATER SOLUBLE CHELATE COMPOUND AS STABILIZER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1985-08-27 US disclosed
EP-0094052-A2 1-(1,3-Dioxolan-2-yl-methyl)-1H-imidazoles and -1H-1,2,4-triazoles and their salts, process for their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-11-16 EP disclosed
US-4252738-A 1,2-Halohydrincarboxylic acid esters and a process for their preparation BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 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 (5 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-20090131677-A1 SUBSTITUTED BETA-PHENYL-ALPHA-HYDROXY-PROPANOIC ACID, SYNTHESIS METHOD AND USE THEREOF P4HA1, HAO1, PCCA PTGS2 432/4885KDM4E 3281/4885HSD17B10 115/4885
US-20210128561-A1 MRGX Receptor Antagonists MRGPRX2, MRGPRX1, MRGPRX4 PTGS2 429/4885KDM4E 3530/4885HSD17B10 2366/4885
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885KDM4E 4795/4885HSD17B10 454/4885
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885KDM4E 4795/4885HSD17B10 454/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885KDM4E 4795/4885HSD17B10 454/4885

“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.