SCHEMBL6353463

SCHEMBL6353463

COC(=O)C(=O)CC(=O)c1cc(F)c(OC)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TUBB1 Q9H4B7 4/20 0.41
ACACB O00763 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 2/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL6341450 0.87 ERCC5 (0.47) KDM4EALDH1A1MEN1KMT2ATUBB1
SCHEMBL5739395 0.83 ALDH1A1 (0.44) KDM4EALDH1A1MEN1KMT2ATUBB1
SCHEMBL11248607 0.81 ALDH1A1 (0.62) KDM4EALDH1A1MEN1KMT2ATUBB1
SCHEMBL20486918 0.80 CES2 (0.48) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL6580876 0.79 MAPT (0.44) KDM4EALDH1A1MEN1KMT2ATUBB1
SCHEMBL2382429 0.77 GSK3B (0.50) KDM4EALDH1A1MEN1KMT2ATUBB1
SCHEMBL27238307 0.77 GAA (0.49) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL20486867 0.76 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1HTTRAB9A
SCHEMBL8465292 0.74 KDM4E (0.55) KDM4EALDH1A1TUBB1HTTRAB9A
SCHEMBL17731964 0.74 HSD17B14 (0.42) KDM4EALDH1A1MEN1KMT2AHTT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6951949-B2 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-04 US disclosed
US-20050131050-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation G.D. SEARLE & CO. (US) 2005-06-16 US disclosed
US-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G.D. SEARLE & CO. (US) 2004-09-30 US disclosed
US-6586603-B1 Forming 4-(5-(4-chlorophenyl)-3-trifluoromethyl)-1H-pyrazol-1 -yl)benzenesulfonamide used as antiinflammatory agents; side effect reduction G.D. SEARLE & CO. 2003-07-01 US disclosed
EP-0854723-B1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS SEARLE & CO (US) 2003-04-23 EP disclosed
US-6492411-B1 TREATING ARTHRITIS; REDUCED SIDE EFFECTS G. D. SEARLE & CO. 2002-12-10 US disclosed
EP-0923933-B1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation SEARLE & CO (US) 2002-07-03 EP disclosed
US-6413960-B1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS; ACTIVE IN REDUCING PROSTAGLANDIN-INDUCED PAIN AND SWELLING; ANALGESICS; ANTIPYRETICS; ARTHRITIS; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2002-07-02 US disclosed
US-6156781-A Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-12-05 US disclosed
EP-0731795-B1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-12-22 EP disclosed
EP-0923933-A1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation G.D. SEARLE & CO. (US) 1999-06-23 EP disclosed
EP-0854723-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-07-29 EP 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
WO-1997011704-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-04-03 WO disclosed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO 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 KDM4E 1763/4885ALDH1A1 1964/4885MEN1 4817/4885
US-20050131050-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation IRAK2, IRAK4, IRAK3 KDM4E 2316/4885ALDH1A1 2573/4885MEN1 4773/4885

“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.