SCHEMBL6777917

SCHEMBL6777917

CCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 7/20 0.82

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
SCHEMBL6773532 0.90 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6774168 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6774269 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6291225 0.85 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL6289804 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6289837 0.83 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL6290553 0.83 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL6361393 0.81 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6777192 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6291074 0.80 PTGS2 (1.00) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743816-B2 CYCLOOXYGENASE INHIBITORS WITH SELECTIVITY FOR THE ISOFORM 2 (COX-2); 4-CHLORO-5-(4-ISOPROPOXYPHENYL)-1-(4-METHYLSULFONYL PHENYL)IMIDAZOLE; CHLORINATION J. URIACH & CIA S.A. (ES) 2004-06-01 US claimed
US-20030176481-A1 Novel imidazole derivatives with anti-inflammatory activity J. URIACH & CIA S.A. (ES) 2003-09-18 US claimed
EP-1270559-A1 NOVEL IMIDAZOLE DERIVATIVES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2003-01-02 EP claimed
CN-117877625-A Virtual screening method for inhibitor MPB with human cyclooxygenase 2 as target and inhibitor thereof 重庆医科大学国际体外诊断研究院 2024-04-12 CN disclosed
US-6743816-B2 CYCLOOXYGENASE INHIBITORS WITH SELECTIVITY FOR THE ISOFORM 2 (COX-2); 4-CHLORO-5-(4-ISOPROPOXYPHENYL)-1-(4-METHYLSULFONYL PHENYL)IMIDAZOLE; CHLORINATION J. URIACH & CIA S.A. (ES) 2004-06-01 US disclosed
US-20030176481-A1 Novel imidazole derivatives with anti-inflammatory activity J. URIACH & CIA S.A. (ES) 2003-09-18 US disclosed
EP-1270559-A1 NOVEL IMIDAZOLE DERIVATIVES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2003-01-02 EP 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-20030176481-A1 Novel imidazole derivatives with anti-inflammatory activity IL1B, IL1A, MIF PTGS2 11/4885PTGS1 5/4885

“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.