SCHEMBL6352009

SCHEMBL6352009

O=C1c2ccccc2CCC1C(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
PTGS2 P35354 3/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL29365032 1.00 ACHE (0.47) ACHEPTGS2ALDH1A1KDM4EMAPT
SCHEMBL29115362 0.88 ACHE (0.45) ACHEPTGS2ALDH1A1KDM4EMAPT
SCHEMBL28699476 0.84 KDM4E (0.51) ACHEALDH1A1KDM4EMAPTTSHR
SCHEMBL8021509 0.80 ACHE (0.54) ACHEPTGS2ALDH1A1KDM4EMAPT
SCHEMBL6343955 0.80 PARP10 (0.40) ACHEPTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL29458360 0.79 ACHE (0.53) ACHEPTGS2ALDH1A1KDM4EMAPT
SCHEMBL599710 0.79 ACHE (0.53) ACHEPTGS2ALDH1A1KDM4EMAPT
SCHEMBL14013777 0.79 CYP26A1 (0.42) CYP19A1DRD2HTR2AHTR2CHTR2B
SCHEMBL29458361 0.78 HSD17B10 (0.60) ACHEPTGS2ALDH1A1KDM4EMAPT
SCHEMBL599658 0.78 HSD17B10 (0.60) ACHEPTGS2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113981243-A Method for extracting and separating lithium and alkaline earth metal from salt lake brine with high sodium-lithium ratio 中国科学院青海盐湖研究所 2022-01-28 CN disclosed
CN-112375099-A Quaternary carbon phosphonate and preparation method thereof 西南大学 2021-02-19 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
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
US-6492411-B1 TREATING ARTHRITIS; REDUCED SIDE EFFECTS G. D. SEARLE & CO. 2002-12-10 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
US-5563165-A PROSTAGLANDIN INHIBITOR; FDA ORANGE BOOK LISTED PATENT FOR CELEBREX G. D. SEARL & CO. (US) 1996-10-08 US disclosed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP disclosed
US-5521207-A Substituted pyrazolyl benzenesulfonamide for the treatment of inflammation G.D. SEARLE & CO. (US) 1996-05-28 US disclosed
US-5516907-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-05-14 US disclosed
US-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5508426-A ANTIARTHRITIC AGENT G. D. SEARLE & CO. (US) 1996-04-16 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed
US-5466823-A Antiinflammatory agents; FDA Orange book listed patent for Celebrex G.D. SEARLE & CO. (US) 1995-11-14 US 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 ACHE 2943/4885PTGS2 279/4885ALDH1A1 1964/4885
US-20050131050-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation IRAK2, IRAK4, IRAK3 ACHE 3766/4885PTGS2 230/4885ALDH1A1 2573/4885

“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.