Dimethyl Celecoxib

Dimethyl Celecoxib

SCHEMBL2228663

Cc1ccc(C)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 1.00
PTGS2 P35354 13/20 0.83
PTGS1 P23219 9/20 0.83
PDPK1 O15530 4/20 0.73
HDAC3 O15379 1/20 0.73
CA12 O43570 1/20 0.73
PDE5A O76074 1/20 0.73
ABCB11 O95342 1/20 0.73
MT-CO2 P00403 1/20 0.73
CA1 P00915 1/20 0.73
CA2 P00918 1/20 0.73
LMNA P02545 1/20 0.73
CA3 P07451 1/20 0.73
CYP3A4 P08684 1/20 0.73
ALOX5 P09917 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
ADRB3 P13945 1/20 0.73
ALOX15 P16050 1/20 0.73

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
SCHEMBL6352145 0.91 PTGS2 (1.00) PTGESPTGS2PTGS1PDPK1HDAC3
SCHEMBL16025998 0.91 PTGES (0.83) PTGESPTGS2PTGS1PDPK1HDAC3
SCHEMBL30149115 0.91 PTGS2 (1.00) PTGESPTGS2PTGS1PDPK1HDAC3
SCHEMBL16025997 0.89 PTGES (0.80) PTGESPTGS2PTGS1PDPK1HDAC3
SCHEMBL16026002 0.88 PTGES (0.78) PTGESPTGS2PTGS1PDPK1HDAC3
SCHEMBL6013935 0.87 PTGS2 (0.81) PTGESPTGS2PTGS1PDPK1HDAC3
SCHEMBL3239998 0.87 PTGS2 (1.00) PTGESPTGS2PTGS1PDPK1HDAC3
SCHEMBL16025934 0.87 PTGES (0.77) PTGESPTGS2PTGS1PDPK1HDAC3
SCHEMBL6013961 0.86 PTGS2 (0.80) PTGESPTGS2PTGS1PDPK1HDAC3
SCHEMBL16026023 0.86 PTGES (0.75) PTGESPTGS2PTGS1PDPK1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230405125-A1 TREATMENT OF RECURRENT GIOBLASTOMA WITH PERILLYL ALCOHOL Neonc Technologies, Inc. 2023-12-21 US claimed
EP-4243794-A1 TREATMENT OF RECURRENT GIOBLASTOMA WITH PERILLYL ALCOHOL Neonc Technologies, Inc. (US) 2023-09-20 EP claimed
WO-2022104041-A1 TREATMENT OF RECURRENT GIOBLASTOMA WITH PERILLYL ALCOHOL Neonc Technologies, Inc. (US) 2022-05-19 WO claimed
US-8637564-B2 Methods and compositions for inducing apoptosis by stimulating ER stress UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-01-28 US claimed
US-20110318837-A1 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS BY STIMULATING ER STRESS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-12-29 US claimed
US-7981917-B2 Methods and compositions for including apoptosis by stimulating ER stress UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-07-19 US claimed
US-20090062227-A1 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS BY STIMULATING ER STRESS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-03-05 US claimed
US-20060142368-A1 Compounds and methods for inducing apoptosis in proliferating cells MRDC 2006-06-29 US claimed
EP-1499597-A4 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS UNIV OHIO STATE RES FOUND (US) 2006-01-25 EP claimed
EP-1499597-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-01-26 EP claimed
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells NIH - DEITR 2003-12-25 US claimed
WO-2003086287-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-10-23 WO claimed
EP-3244930-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES UNIV SOUTHERN CALIFORNIA (US) 2026-05-06 EP disclosed
US-20260069587-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2026-03-12 US disclosed
EP-4656641-A2 METHODS AND DEVICES FOR USING ISOPERILLYL ALCOHOL University of Southern California (US) 2025-12-03 EP disclosed
US-20250332262-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2025-10-30 US disclosed
EP-1499597-A4 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS UNIV OHIO STATE RES FOUND (US) 2006-01-25 EP disclosed
EP-1499597-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-01-26 EP disclosed
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells NIH - DEITR 2003-12-25 US disclosed
WO-2003086287-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-10-23 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 (6 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-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD PTGES 893/4885PTGS2 392/4885PTGS1 298/4885
US-20260069587-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES GCDH, PLIN3, PRPH PTGES 698/4885PTGS2 1271/4885PTGS1 2093/4885
US-20250332262-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES PDE3A, PDE3B, PDE5A PTGES 192/4885PTGS2 304/4885PTGS1 188/4885
US-20090062227-A1 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS BY STIMULATING ER STRESS ATP2A1, ATP2A2, ATP2A3 PTGES 84/4885PTGS2 13/4885PTGS1 23/4885
US-20230405125-A1 TREATMENT OF RECURRENT GIOBLASTOMA WITH PERILLYL ALCOHOL IDH3A, IDH1, IDH3B PTGES 2753/4885PTGS2 1517/4885PTGS1 1644/4885
US-20060142368-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD PTGES 877/4885PTGS2 370/4885PTGS1 303/4885

“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.