SCHEMBL6776749

SCHEMBL6776749

COc1cc(-c2cncn2-c2ccc(SCOC(C)=O)cc2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
GRK6 P43250 1/20 0.37
HSP90AA1 P07900 7/20 0.34
HSP90AB1 P08238 4/20 0.34
CRBN Q96SW2 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL6178361 0.85 HSP90AA1 (0.40) PTGS2HSP90AA1HSP90AB1CRBN
SCHEMBL6776879 0.81 PTGS2 (0.61) PTGS2
SCHEMBL6773232 0.73 PTGS2 (0.43) PTGS2HSP90AA1HSP90AB1CRBN
SCHEMBL13955779 0.69 ALDH1A1 (0.46) PTGS2HSP90AA1HSP90AB1
SCHEMBL16714473 0.69 PTGS2 (0.36) PTGS2HSP90AA1HSP90AB1
SCHEMBL16724610 0.69 APP (0.46)
SCHEMBL16724628 0.69 HSP90AA1 (0.36) PTGS2HSP90AA1HSP90AB1GRM5
SCHEMBL14227622 0.68 PTGS1 (0.43) PTGS2HSP90AA1HSP90AB1CRBN
SCHEMBL15703332 0.67 APP (0.48)
SCHEMBL6291094 0.67 PTGS2 (0.64) PTGS2

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 11/4885GRK6 1711/4885HSP90AA1 542/4885

“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.