SCHEMBL3249718

SCHEMBL3249718

NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.95

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.95
PTGS1 P23219 10/20 0.95
PDPK1 O15530 1/20 0.69
ABCB11 O95342 1/20 0.65
ALDH1A1 P00352 1/20 0.65
CA1 P00915 3/20 0.64
CA2 P00918 3/20 0.64
CA9 Q16790 3/20 0.64
CYP2C9 P11712 1/20 0.61

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
SCHEMBL215341 0.97 PTGS2 (1.00) PTGS2PTGS1PDPK1ABCB11ALDH1A1
SCHEMBL6339195 0.95 PTGS2 (0.90) PTGS2PTGS1PDPK1ABCB11ALDH1A1
SCHEMBL6352647 0.89 PTGS2 (0.80) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL212658 0.88 PTGS2 (1.00) PTGS2PTGS1PDPK1ABCB11ALDH1A1
SCHEMBL6339240 0.88 PTGS2 (1.00) PTGS2PTGS1PDPK1ABCB11ALDH1A1
SCHEMBL213150 0.88 PTGS2 (1.00) PTGS2PTGS1PDPK1ABCB11ALDH1A1
SCHEMBL3243184 0.88 PTGS2 (0.82) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL7789562 0.88 PTGS2 (0.78) PTGS2PTGS1PDPK1ABCB11ALDH1A1
Sulfamide SCHEMBL7145902 0.87 PTGS2 (0.81) PTGS2PTGS1PDPK1ABCB11ALDH1A1
SCHEMBL6352074 0.87 PTGS2 (1.00) PTGS2PTGS1PDPK1ABCB11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed
EP-1146789-B1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2009-03-18 EP claimed
US-6492411-B1 TREATING ARTHRITIS; REDUCED SIDE EFFECTS G. D. SEARLE & CO. 2002-12-10 US claimed
US-6156781-A Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-12-05 US claimed
US-5466823-A Antiinflammatory agents; FDA Orange book listed patent for Celebrex G.D. SEARLE & CO. (US) 1995-11-14 US claimed
EP-1146789-B1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2009-03-18 EP disclosed
US-20060167075-A1 Modulators of FAAH IRONWOOD PHARMACEUTICALS, INC. 2006-07-27 US disclosed
US-7041694-B1 Cyclooxygenase-2 inhibition CORNELL RESEARCH FOUNDATION, INC. (US) 2006-05-09 US disclosed
US-6486203-B1 Treating inflammatory diseases of the head and neck with cyclooxygenase-2 inhibitors CORNELL RESEARCH FOUNDATION, INC. 2002-11-26 US disclosed
US-6403630-B1 ADMINISTERING A CYCLOOXYGENASE-2 (COX-2) INHIBITOR ALONE OR IN COMBINATION WITH HERCEPTIN? ANTIBODY; USED TO TREAT BREAST CANCER CORNELL RESEARCH FOUNDATION, INC. 2002-06-11 US disclosed
US-5563165-A PROSTAGLANDIN INHIBITOR; FDA ORANGE BOOK LISTED PATENT FOR CELEBREX G. D. SEARL & CO. (US) 1996-10-08 US 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-5508426-A ANTIARTHRITIC AGENT G. D. SEARLE & CO. (US) 1996-04-16 US disclosed
US-5466823-A Antiinflammatory agents; FDA Orange book listed patent for Celebrex G.D. SEARLE & CO. (US) 1995-11-14 US 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 (1 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-20060167075-A1 Modulators of FAAH FAAH, FAAH2, HCRTR2 PTGS2 107/4885PTGS1 73/4885PDPK1 2766/4885

“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.