SCHEMBL4777241

SCHEMBL4777241

CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.66
KDM4E B2RXH2 6/20 0.62
HSD17B10 Q99714 4/20 0.62
ALDH1A1 P00352 4/20 0.62
HPGD P15428 3/20 0.62
TTR P02766 2/20 0.62
HMGB1 P09429 2/20 0.62
LMNA P02545 2/20 0.62
ACMSD Q8TDX5 2/20 0.62
USP2 O75604 2/20 0.62
MEN1 O00255 1/20 0.62
DHFR P00374 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
ALB P02768 1/20 0.62
CXCL12 P48061 1/20 0.62
KMT2A Q03164 1/20 0.62
HIF1A Q16665 1/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
PTGS1 P23219 2/20 0.49

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
SCHEMBL30338549 1.00 CFD (0.66) CFDKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11413219 0.99 CFD (0.64) CFDKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11413200 0.99 CFD (0.64) CFDKDM4EHSD17B10ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9160530 0.99 CFD (0.64) CFDKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL5604291 0.92 KDM4E (0.60) CFDKDM4EHSD17B10ALDH1A1HPGD
Flufenisal SCHEMBL4730188 0.91 ACMSD (0.69) CFDKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9160520 0.88 TTR (0.50) CFDKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL15721291 0.88 TTR (0.50) CFDKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11413196 0.88 TTR (0.50) CFDKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11413215 0.88 TTR (0.50) CFDKDM4EHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105439877-B The prodrug of positively charged water-soluble Diflunisal and related compound 于崇曦 2019-07-23 CN claimed
CN-101500983-B Positively charged water-soluble prodrugs of diflunisal and related compounds with fast skin penetration rate YU CHONGXI (US) 2015-09-16 CN claimed
EP-0144519-B1 2',4'-DIFLUORO-4-HYDROXY-(1,1'-DIPHENYL)-3-CARBOXYLIC DERIVATIVES OF N-ACETYLCYSTEINE AND OF S-CARBOXYMETHYLCYSTEINE HAVING ANTI-INFLAMMATORY AND MUCOLYTIC ACTIVITY, PROCESS FOR THEIR PREPARATION AND RELATED PHARMACEUTICAL COMPOSITIONS LABORATORI GUIDOTTI S.P.A. (IT) 1987-06-10 EP claimed
EP-0144519-A1 2',4'-Difluoro-4-hydroxy-(1,1'-diphenyl)-3-carboxylic derivatives of N-acetylcysteine and of S-carboxymethylcysteine having anti-inflammatory and mucolytic activity, process for their preparation and related pharmaceutical compositions LABORATORI GUIDOTTI S.P.A. (IT) 1985-06-19 EP claimed
EP-4245752-A2 PRO-DRUGS OF NSAIAS WITH VERY HIGH SKIN AND MEMBRANES PENETRATION RATES AND THEIR NEW MEDICINAL USES Techfields Inc (US) 2023-09-20 EP disclosed
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS TECHFIELDS PHARMA CO., LTD (CN) 2023-07-27 US disclosed
EP-2170826-B1 PRO-DRUGS OF NSAIAS WITH VERY HIGH SKIN AND MEMBRANES PENETRATION RATES AND THEIR NEW MEDICINAL USES TECHFIELDS INC (US) 2022-04-27 EP disclosed
CN-113636965-A High penetration composition and application thereof 于崇曦 2021-11-12 CN disclosed
CN-107320732-B High penetration composition and application thereof 于崇曦 2021-09-07 CN disclosed
CN-108191846-B High penetration composition and application thereof 于崇曦 2021-08-20 CN disclosed
US-20210169905-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2021-06-10 US disclosed
CN-111808011-A High penetration composition and application thereof 于崇曦 2020-10-23 CN disclosed
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 disclosed
EP-0144519-B1 2',4'-DIFLUORO-4-HYDROXY-(1,1'-DIPHENYL)-3-CARBOXYLIC DERIVATIVES OF N-ACETYLCYSTEINE AND OF S-CARBOXYMETHYLCYSTEINE HAVING ANTI-INFLAMMATORY AND MUCOLYTIC ACTIVITY, PROCESS FOR THEIR PREPARATION AND RELATED PHARMACEUTICAL COMPOSITIONS LABORATORI GUIDOTTI S.P.A. (IT) 1987-06-10 EP disclosed
US-4532249-A Derivatives of p-acylaminophenol having a therapeutic action, and compositions having a therapeutic action containing said derivatives as pharmacologically active ingredients MOLNAR FRANCOIS (CH) 1985-07-30 US disclosed
EP-0144519-A1 2',4'-Difluoro-4-hydroxy-(1,1'-diphenyl)-3-carboxylic derivatives of N-acetylcysteine and of S-carboxymethylcysteine having anti-inflammatory and mucolytic activity, process for their preparation and related pharmaceutical compositions LABORATORI GUIDOTTI S.P.A. (IT) 1985-06-19 EP disclosed
EP-0017102-A1 Composition containing a phenyl benzoic acid compound and acetaminophen combination for the treatment of pain and inflammation and process for preparing the same MERCK & CO. INC. (US) 1980-10-15 EP disclosed
EP-0017169-A1 Improved anti-inflammatory combinations having reduced ulcerogenicity MERCK & CO. INC. (US) 1980-10-15 EP disclosed
US-4228161-A INDOMETHACIN AND A SUBSTITUTED PHENYL BENZOIC ACID MERCK & CO., INC. (US) 1980-10-14 US disclosed
US-4217340-A ANALGESICS, ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1980-08-12 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 (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-20210169905-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 CFD 4006/4885KDM4E 2493/4885HSD17B10 120/4885
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC5A7, SLC19A1, SLC43A1 CFD 3713/4885KDM4E 2401/4885HSD17B10 720/4885

“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.