SCHEMBL30003695

SCHEMBL30003695

CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)coc2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.58

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
SCHEMBL6050734 0.82 PTGS2 (0.58) PTGS2
SCHEMBL6050878 0.76 PTGS2 (0.72) PTGS2
SCHEMBL5502727 0.75 PTGS2 (1.00) PTGS2
SCHEMBL6314880 0.74 PTGS2 (0.45) PTGS2
SCHEMBL8645506 0.74 PTGS2 (0.75) PTGS2
SCHEMBL5708943 0.73 PTGS2 (0.58) PTGS2
Hydrogen Sulfide SCHEMBL27744400 0.73 PTGS2 (0.96) PTGS2
SCHEMBL6309243 0.73 PTGS2 (0.44) PTGS2
SCHEMBL8770202 0.73 PTGS2 (0.79) PTGS2
SCHEMBL1687503 0.73 PTGS2 (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409568-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE Tremeau Pharmaceuticals, Inc. (US) 2022-12-29 US disclosed
US-20220362206-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE Tremeau Pharmaceuticals, Inc. (US) 2022-11-17 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 (2 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-20220362206-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE ITGA2B, F13B, F11 PTGS2 764/4885
US-20220409568-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE ITGA2B, F13B, F11 PTGS2 764/4885

“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.