SCHEMBL6345461

SCHEMBL6345461

CC(=O)c1cc(C)c2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.38
GAA P10253 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL26581069 0.86 ALDH1A1 (0.53) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL17714985 0.81 RAB9A (0.49) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL31480928 0.81 KMT2A (0.41) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL4712109 0.78 PLK1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL26723859 0.78 KMT2A (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL13204636 0.75 MAPT (0.50) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL9725006 0.72 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1KDM4EGAA
3,4-Methylendioxy Acetophenone SCHEMBL29405437 0.72 KDM4E (0.71) KMT2AMEN1NPC1RAB9AALDH1A1
3,4-Methylendioxy Acetophenone SCHEMBL137979 0.72 KDM4E (0.71) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3350012 0.71 PLK1 (0.44) KMT2AMEN1NPC1RAB9AALDH1A1

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 21 patents — showing the first 20. 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-6716991-B1 REACTING ETHYL DIFLUOROACETATE AND 4'-CHLOROACETOPHENONE PRODUCING 4,4-DIFLUORO-1-(4-(CHLORO)PHENYL)-BUTANE-1,3-DIONE AND REACTING WITH 4-SULPHONAMIDOPHENYL HYDRAZINE HYDROCHLORIDE G. D. SEARLE & CO. 2004-04-06 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
EP-0922697-B1 Substituted Pyrazolyl benzenesulfonamides and their use as cyclooxygenase II inhibitors SEARLE & CO (US) 2003-02-26 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-6156781-A Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-12-05 US disclosed
EP-0946552-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-06 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-0922697-A1 Substituted Pyrazolyl benzenesulfonamides and their use as cyclooxygenase II inhibitors G.D. SEARLE & CO. (US) 1999-06-16 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-1998013366-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-04-02 WO 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 KMT2A 3269/4885MEN1 4817/4885NPC1 4574/4885
US-20050131050-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation IRAK2, IRAK4, IRAK3 KMT2A 3286/4885MEN1 4773/4885NPC1 4602/4885

“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.