SCHEMBL412439

SCHEMBL412439

O=C(O)c1cc(-c2ccccc2F)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 7/20 1.00
DHFR P00374 2/20 0.69
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
USP2 O75604 1/20 0.69
ALDH1A1 P00352 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
LMNA P02545 1/20 0.69
TTR P02766 1/20 0.69
ALB P02768 1/20 0.69
HMGB1 P09429 1/20 0.69
HPGD P15428 1/20 0.69
CXCL12 P48061 1/20 0.69
KMT2A Q03164 1/20 0.69
HIF1A Q16665 1/20 0.69
SLC22A6 Q4U2R8 1/20 0.69
HSD17B10 Q99714 1/20 0.69
MCL1 Q07820 10/20 0.67
HNF4A P41235 1/20 0.64

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
SCHEMBL17202660 0.88 MCL1 (0.77) ACMSDDHFRKDM4EMEN1USP2
SCHEMBL4428964 0.87 ACMSD (0.77) ACMSDDHFRKDM4EMEN1USP2
SCHEMBL28173338 0.87 ACMSD (0.77) ACMSDDHFRKDM4EMEN1USP2
SCHEMBL18742254 0.86 ACMSD (0.76) ACMSDDHFRKDM4EMEN1USP2
SCHEMBL14252244 0.86 ACMSD (0.76) ACMSDDHFRKDM4EMEN1USP2
SCHEMBL29360995 0.86 ACMSD (0.76) ACMSDDHFRKDM4EMEN1USP2
SCHEMBL2533617 0.84 ACMSD (0.76) ACMSDDHFRKDM4EMEN1USP2
SCHEMBL505872 0.83 ACMSD (0.71) ACMSDDHFRKDM4EMEN1USP2
Diflunisal SCHEMBL6277460 0.82 ACMSD (0.86) ACMSDDHFRKDM4EMEN1USP2
Diflunisal SCHEMBL29367380 0.82 ACMSD (1.00) ACMSDDHFRKDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101888776-A Method and compositions for treatment or prevention of inflammatory conditions UNIV ROCHESTER 2010-11-17 CN claimed
CN-101175720-A Novel haloalkyl sulfone substituted compounds useful for the treatment of obesity and diabetes NOVO NORDISK AS (DK) 2008-05-07 CN claimed
CN-110201180-A The medicinal nanoemulsions preparation in the part of liquid JRX生物技术有限公司 2019-09-06 CN disclosed
CN-105209011-B Liquid topical pharmaceutical nanoemulsion formulations JRX生物技术有限公司 2019-06-25 CN disclosed
CN-108578376-A The sustained release pellet composition of performance improvement 广州柏赛罗药业有限公司 2018-09-28 CN disclosed
CN-108295262-A The pharmaceutical composition containing anti-inflammatory agent and antioxidant conjugate for treating dysbolism 根梅迪卡治疗公司 2018-07-20 CN disclosed
CN-103945839-B Pharmaceutical combination comprising an anti-inflammatory agent and an antioxidant conjugate for the treatment of metabolic disorders 根梅迪卡治疗公司 2018-02-09 CN disclosed
CN-105209011-A Liquid topical pharmaceutical nanoemulsion formulations JRX BIOTECHNOLOGY INC 2015-12-30 CN disclosed
CN-101888776-B Method and compositions for treatment or prevention of inflammatory conditions UNIV ROCHESTER 2015-03-11 CN disclosed
EP-2325651-B1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2014-10-08 EP disclosed
EP-2325651-B1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2014-10-08 EP disclosed
WO-2005058230-A2 TOPICAL USE OF HALOSALICYLIC ACID DERIVATIVES AVON PRODUCTS, INC. (US) 2005-06-30 WO disclosed
US-20050136015-A1 Topical use of halosalicylic acid derivatives AVON PRODUCTS, INC. 2005-06-23 US disclosed
US-20040152140-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE 2004-08-05 US disclosed
WO-2004056315-A2 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING THE SCRIPPS RESEARCH INSTITUTE (US) 2004-07-08 WO disclosed
EP-0017169-A1 Improved anti-inflammatory combinations having reduced ulcerogenicity MERCK & CO. INC. (US) 1980-10-15 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
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
US-4044049-A Phenyl benzoic acid compounds MERCK & CO., INC. (US) 1977-08-23 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 (1 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-20050136015-A1 Topical use of halosalicylic acid derivatives NACA, TYR, PRKDC ACMSD 1718/4885DHFR 2300/4885KDM4E 2989/4885

“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.