SCHEMBL1593867

SCHEMBL1593867

Cc1ccc(C(=O)CC(=O)C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.70
PLOD3 O60568 2/20 0.62
PLOD1 Q02809 2/20 0.62
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 3/20 0.58
GSK3B P49841 1/20 0.52
CA2 P00918 1/20 0.47
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 3/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
KDM4E B2RXH2 2/20 0.44
PLA2G1B P04054 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL10613378 0.98 PLOD2 (0.68) PLOD2PLOD3PLOD1NPC1RAB9A
SCHEMBL11137727 0.95 PLOD2 (0.64) PLOD2PLOD3PLOD1NPC1RAB9A
SCHEMBL22804725 0.84 MAOB (0.61) PLOD2NPC1RAB9AKMT2AMEN1
SCHEMBL711849 0.82 PLOD2 (1.00) PLOD2PLOD3PLOD1NPC1RAB9A
SCHEMBL1095373 0.82 PLOD2 (0.72) PLOD2PLOD3PLOD1NPC1RAB9A
SCHEMBL19919892 0.82 NPC1 (0.65) PLOD2NPC1RAB9AKMT2AMEN1
SCHEMBL4588764 0.81 PLOD2 (0.66) PLOD2PLOD3PLOD1NPC1RAB9A
SCHEMBL28718057 0.81 PLOD2 (0.66) PLOD2PLOD3PLOD1NPC1RAB9A
SCHEMBL22805972 0.81 PLOD2 (0.66) PLOD2PLOD3PLOD1NPC1RAB9A
SCHEMBL3247389 0.81 PLOD2 (0.60) PLOD2PLOD3PLOD1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917908-B1 A CONTINUOUS FLOW MICRO-TOTAL PROCESS SYSTEM FOR PREPARATION OF CELECOXIB AND ANALOGS THEREOF COUNCIL SCIENT IND RES (IN) 2024-08-14 EP claimed
CN-118256718-A Alpha-diketo lithium ion extractant and extraction system 郑州天一萃取科技有限公司 2024-06-28 CN claimed
CN-118256716-A Gamma-diketo lithium ion extractant and extraction system 郑州天一萃取科技有限公司 2024-06-28 CN claimed
CN-118256717-A Lithium ion extractant and extraction system 郑州天一萃取科技有限公司 2024-06-28 CN claimed
US-11802112-B2 Continuous flow micro-total process system for preparation of celecoxib and analogs thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-10-31 US claimed
CN-115466277-A Carboxyl functionalized time-resolved fluorescent microsphere and preparation method thereof 苏州为度生物技术有限公司 2022-12-13 CN claimed
CN-114891030-A Europium complex time-resolved fluorescent material and preparation method thereof 苏州为度生物技术有限公司 2022-08-12 CN claimed
CN-113336779-B Rare earth luminescent material, preparation method thereof and fluorescent sensing application 中国计量大学 2022-06-28 CN claimed
US-20220127235-A1 A CONTINUOUS FLOW MICRO-TOTAL PROCESS SYTEM FOR PREPARATION OF CELCOXIB AND ANALOGS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-04-28 US claimed
CN-109010837-B Celecoxib composition with high solubility 千辉药业(安徽)有限责任公司 2021-09-28 CN claimed
US-20070004924-A1 such as (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-yl]benzenesulfonamide), celecoxib, via reacting 1,3-diketone and 4-sulfamidophenyl hydrazine halide salt in solvent system containing isopropanol PHARMACIA CORPORATION 2007-01-04 US claimed
EP-1507766-A4 SYNTHESIS OF DIARYL PYRAZOLES PHARMACIA CORP (US) 2006-06-14 EP claimed
EP-1507766-A1 SYNTHESIS OF DIARYL PYRAZOLES Pharmacia Corporation (US) 2005-02-23 EP claimed
US-20040024225-A1 Synthesis of diaryl pyrazoles PHARMACIA CORPORATION 2004-02-05 US claimed
WO-2003099794-A1 SYNTHESIS OF DIARYL PYRAZOLES PHARMACIA CORPORATION (US) 2003-12-04 WO claimed
EP-1167355-B1 A crystalline form of celecoxib FAKO ILACLARI A S (TR) 2003-10-01 EP claimed
US-6391906-B2 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS FAKO ILACLARI, S.A. (TR) 2002-05-21 US claimed
US-20020016351-A1 New crystals of celecoxib ACTAVIS GROUP HF (IS) 2002-02-07 US claimed
WO-2002000627-A1 A CRYSTALLINE FORM OF CELECOXIB FAKO ILACLARI A.S. (TR) 2002-01-03 WO claimed
EP-1167355-A1 A crystalline form of celecoxib FAKO ILACLARI A.S. (TR) 2002-01-02 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-11802112-B2 Continuous flow micro-total process system for preparation of celecoxib and analogs thereof PTGES2, PTGS2, CYP2J2 PLOD2 3454/4885PLOD3 4085/4885PLOD1 4033/4885
US-20020016351-A1 New crystals of celecoxib PTGS1, PTGER1, CYP2F1 PLOD2 2957/4885PLOD3 3720/4885PLOD1 2266/4885
US-20070004924-A1 such as (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-yl]benzenesulfonamide), celecoxib, via reacting 1,3-diketone and 4-sulfamidophenyl hydrazine halide salt in solvent system containing isopropanol KHK, GCK, SYMPK PLOD2 3796/4885PLOD3 3171/4885PLOD1 3662/4885
US-20040024225-A1 Synthesis of diaryl pyrazoles HDHD5, PDCD2L, HELZ PLOD2 4000/4885PLOD3 4088/4885PLOD1 4417/4885
US-20220127235-A1 A CONTINUOUS FLOW MICRO-TOTAL PROCESS SYTEM FOR PREPARATION OF CELCOXIB AND ANALOGS THEREOF PTGES2, PTGS2, P2RX2 PLOD2 2433/4885PLOD3 3324/4885PLOD1 3726/4885

“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.