SCHEMBL6776879

SCHEMBL6776879

COc1cc(-c2c(Cl)ncn2-c2ccc(SCOC(C)=O)cc2)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.61
PTGS1 P23219 6/20 0.52

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
SCHEMBL6180868 0.85 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6776749 0.81 PTGS2 (0.38) PTGS2
SCHEMBL6782968 0.77 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL6778788 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6773362 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6782961 0.75 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL13955782 0.70 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6441794 0.69 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL6291074 0.68 PTGS2 (1.00) PTGS2PTGS1
Cimicoxib SCHEMBL3123310 0.68 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 3 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 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.