SCHEMBL2747144

SCHEMBL2747144

COC(=O)c1cc(C#Cc2ccccc2)cc(C(=O)OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
ALDH1A1 P00352 5/20 0.54
L3MBTL1 Q9Y468 5/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 3/20 0.54
RAB9A P51151 4/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
PTPN11 Q06124 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46

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
SCHEMBL5685399 0.96 TSHR (0.57) TSHRALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL20031375 0.89 CA1 (0.56) TSHRALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL1926585 0.88 TSHR (0.60) TSHRALDH1A1L3MBTL1LMNAKDM4E
Diphenylacetylene SCHEMBL27943421 0.87 TSHR (0.76) TSHRALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL1105504 0.85 TSHR (0.67) TSHRALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL6341782 0.84 RAB9A (0.48) TSHRALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL19168576 0.83 POLB (0.53) TSHRALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL19168005 0.83 POLB (0.53) TSHRALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL1477039 0.82 MAPT (0.55) TSHRALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL19168011 0.82 KDM4E (0.63) ALDH1A1L3MBTL1LMNAKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G.D. SEARLE & CO. (US) 2004-09-30 US claimed
EP-0923933-B1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation SEARLE & CO (US) 2002-07-03 EP claimed
EP-0923933-A1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation G.D. SEARLE & CO. (US) 1999-06-23 EP claimed
EP-0854723-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-07-29 EP claimed
WO-1997011704-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-04-03 WO claimed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP claimed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO claimed
EP-0411333-A1 Antiherpes tetrapeptide derivatives having a substituted aspartic acid side chain BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-02-06 EP claimed
US-12559589-B2 High-temperature self-crosslinking-based flame-retardant anti-dripping copolyester, and preparation method therefor and application thereof SICHUAN UNIVERSITY (CN) 2026-02-24 US disclosed
US-20230235116-A1 HIGH-TEMPERATURE SELF-CROSSLINKING-BASED FLAME-RETARDANT ANTI-DRIPPING COPOLYESTER, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN UNIVERSITY (CN) 2023-07-27 US disclosed
EP-4169967-A1 HIGH-TEMPERATURE SELF-CROSSLINKING-BASED FLAME-RETARDANT DROPLET-RESISTANT COPOLYESTER, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Sichuan University (CN) 2023-04-26 EP disclosed
US-RE44048-E1 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-YL]benzenesulfonamide for the treatment of inflammation or an inflammation-associated disorder G.D. SEARLE LLC (US) 2013-03-05 US disclosed
US-8337982-B2 Comprising first repeating unit obtained by reaction of bisaminophenol compound and dicarboxylic acid, at least one of which has diamondoid structure and second repeating unit obtained by reaction of bisaminophenol compound having no diamondoid structure and dicarboxylic acid; heat resistance SUMITOMO BAKELITE CO., LTD. (JP) 2012-12-25 US disclosed
US-8178631-B2 Resin composition, varnish, resin film and semiconductor device SUMITOMO BAKELITE COMPANY, LTD. (JP) 2012-05-15 US disclosed
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
EP-0567271-B1 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO CO (JP) 1997-07-02 EP disclosed
EP-0725074-A2 Compounds suitable for use as intermediates in the preparation of Androst-3,5-dien-3-carboxy derivatives SANKYO COMPANY LIMITED (JP) 1996-08-07 EP disclosed
EP-0411334-A1 Antiherpes pentapeptide derivatives having a substituted aspartic acid side chain BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-02-06 EP disclosed
US-4855282-A Recording material and method for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1989-08-08 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-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation IL6, HRH4, CCR2 TSHR 1806/4885ALDH1A1 1964/4885L3MBTL1 2567/4885
US-12559589-B2 High-temperature self-crosslinking-based flame-retardant anti-dripping copolyester, and preparation method therefor and application thereof COL1A1, F11, COL2A1 TSHR 3503/4885ALDH1A1 269/4885L3MBTL1 350/4885

“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.