SCHEMBL5733972

SCHEMBL5733972

O=CNCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 2/20 0.49
HCAR2 Q8TDS4 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH7 P40394 1/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 3/20 0.46
GLA P06280 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7695939 0.85 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1KMT2ASLC6A2
Hydrochloric Acid SCHEMBL8053510 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPK1KMT2ASLC6A2
SCHEMBL8537413 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1KMT2AHCAR2
SCHEMBL8190011 0.83 TDP1 (0.54) ALDH1A1L3MBTL1MAPK1HCAR2TDP1
SCHEMBL24673477 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1KMT2AHCAR2
SCHEMBL8190924 0.82 LMNA (0.57) ALDH1A1KMT2ATDP1ADH1BADH1C
SCHEMBL7721059 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1KMT2AHCAR2
SCHEMBL12666269 0.81 ADH1B (0.47) ALDH1A1L3MBTL1MAPK1KMT2AHCAR2
SCHEMBL8610893 0.81 EPHX2 (0.53) ALDH1A1L3MBTL1MAPK1KMT2AHCAR2
SCHEMBL8615529 0.81 HTT (0.52) ALDH1A1L3MBTL1MAPK1KMT2AHCAR2

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 84 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-0854723-B1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS SEARLE & CO (US) 2003-04-23 EP 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
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US claimed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US claimed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 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-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO claimed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO claimed
US-5250677-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1993-10-05 US claimed
US-5175283-A Enzyme inhibitors for antitrypsin or antithrombin as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1992-12-29 US claimed
US-5110812-A Treatment of pancreatitis; anticoagulants BRISTOL-MYERS SQUIBB CO. (US) 1992-05-05 US claimed
US-5037819-A Anticoagulant; treating pancreatitis BRISTOL-MYERS SQUIBB COMPANY (US) 1991-08-06 US claimed
CN-108025574-A Thermal recording medium 三光株式会社 2018-05-11 CN 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
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed
US-5037819-A Anticoagulant; treating pancreatitis BRISTOL-MYERS SQUIBB COMPANY (US) 1991-08-06 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-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation IL6, HRH4, CCR2 ALDH1A1 1964/4885L3MBTL1 2567/4885MAPK1 1946/4885

“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.