SCHEMBL3685447

SCHEMBL3685447

O=C(O)c1cc(-c2cccc(F)c2)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 11/20 0.72
MCL1 Q07820 6/20 0.71
DHFR P00374 2/20 0.71
HNF4A P41235 2/20 0.71
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
USP2 O75604 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
LMNA P02545 1/20 0.62
TTR P02766 1/20 0.62
ALB P02768 1/20 0.62
HMGB1 P09429 1/20 0.62
HPGD P15428 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
HSD17B10 Q99714 1/20 0.62

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
SCHEMBL27630318 0.86 ACMSD (0.71) ACMSDMCL1DHFRHNF4AALDH1A1
SCHEMBL14252243 0.86 DCLRE1B (0.67) ACMSDMCL1DHFRHNF4ADCLRE1B
SCHEMBL411333 0.86 ACMSD (0.65) ACMSDMCL1DHFRHNF4AKDM4E
SCHEMBL29363677 0.84 DCLRE1B (0.60) ACMSDMCL1DHFRHNF4ADCLRE1B
SCHEMBL2160051 0.84 DCLRE1B (0.60) ACMSDMCL1DHFRHNF4ADCLRE1B
SCHEMBL330405 0.84 ACMSD (0.72) ACMSDMCL1DHFRHNF4AKDM4E
SCHEMBL23143193 0.83 ACMSD (1.00) ACMSDMCL1DHFRHNF4ALCK
SCHEMBL9273036 0.83 ACMSD (1.00) ACMSDMCL1DHFRHNF4ALCK
SCHEMBL29759663 0.83 ACMSD (1.00) ACMSDMCL1DHFRHNF4ALCK
SCHEMBL330602 0.83 ACMSD (1.00) ACMSDMCL1DHFRHNF4ALCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11382882-B2 Anti-virulence compositions and methods CASE WESTERN RESERVE UNIVERSITY (US) 2022-07-12 US disclosed
US-20210308082-A9 ANTI-VIRULENCE COMPOSITIONS AND METHODS UNIV CASE WESTERN RESERVE (US) 2021-10-07 US disclosed
US-20200237692-A1 ANTI-VIRULENCE COMPOSITIONS AND METHODS UNIV CASE WESTERN RESERVE (US) 2020-07-30 US disclosed
US-10227282-B2 Anti-virulence compositions and methods CASE WESTERN RESERVE UNIVERSITY (US) 2019-03-12 US disclosed
US-20140336258-A1 ANTI-VIRULENCE COMPOSITIONS AND METHODS CASE WESTERN RESERVE UNIVERSITY 2014-11-13 US disclosed
US-20140336258-A1 ANTI-VIRULENCE COMPOSITIONS AND METHODS CASE WESTERN RESERVE UNIVERSITY 2014-11-13 US disclosed
US-8859626-B2 Anti-virulence compositions and methods CASE WESTERN RESERVE UNIVERSITY (US) 2014-10-14 US disclosed
US-8859626-B2 Anti-virulence compositions and methods CASE WESTERN RESERVE UNIVERSITY (US) 2014-10-14 US disclosed
US-20110218226-A1 ANTI-VIRULENCE COMPOSITIONS AND METHODS CASE WESTERN RESERVE UNIVERSITY 2011-09-08 US disclosed
US-20110218226-A1 ANTI-VIRULENCE COMPOSITIONS AND METHODS CASE WESTERN RESERVE UNIVERSITY 2011-09-08 US disclosed
CN-1867340-A Topical use of halosalicylic acid derivatives AVON PROD INC (US) 2006-11-22 CN disclosed
EP-1694337-A2 TOPICAL USE OF HALOSALICYLIC ACID DERIVATIVES AVON PRODUCTS, INC. (US) 2006-08-30 EP disclosed
US-20060069161-A1 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2006-03-30 US disclosed
WO-2006004803-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX, INCORPORATED (US) 2006-01-12 WO 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
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 (8 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-20140336258-A1 ANTI-VIRULENCE COMPOSITIONS AND METHODS ANTXR2, PURB, CAPG ACMSD 1128/4885MCL1 2750/4885DHFR 4100/4885
US-20210308082-A9 ANTI-VIRULENCE COMPOSITIONS AND METHODS ANTXR2, PURB, CAPG ACMSD 1128/4885MCL1 2750/4885DHFR 4100/4885
US-20110218226-A1 ANTI-VIRULENCE COMPOSITIONS AND METHODS ANTXR2, PURB, CAPG ACMSD 1128/4885MCL1 2750/4885DHFR 4100/4885
US-20200237692-A1 ANTI-VIRULENCE COMPOSITIONS AND METHODS ANTXR2, PURB, CAPG ACMSD 1128/4885MCL1 2750/4885DHFR 4100/4885
US-20050136015-A1 Topical use of halosalicylic acid derivatives NACA, TYR, PRKDC ACMSD 1718/4885MCL1 729/4885DHFR 2300/4885
US-10227282-B2 Anti-virulence compositions and methods ANTXR2, PURB, CAPG ACMSD 1128/4885MCL1 2750/4885DHFR 4100/4885
US-20060069161-A1 Methods and reagents for the treatment of metabolic disorders LIPC, PNLIP, GOT2 ACMSD 3350/4885MCL1 3721/4885DHFR 960/4885
US-11382882-B2 Anti-virulence compositions and methods ANTXR2, PURB, CAPG ACMSD 1128/4885MCL1 2750/4885DHFR 4100/4885

“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.