SCHEMBL6070628

SCHEMBL6070628

CC1(C)OC(=O)C(Oc2nc(CO)cc3ccccc23)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.60
PTGS1 P23219 10/20 0.56

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
SCHEMBL5205560 0.81 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL5208793 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5349688 0.74 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL4575651 0.73 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5354135 0.72 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5208892 0.71 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5204929 0.71 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5207098 0.71 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5207876 0.71 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5204562 0.71 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US disclosed
US-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals MERCK SHARP & DOHME CORP. 2004-11-25 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-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals FLT4, KDR, FLT1 PTGS2 329/4885PTGS1 145/4885

“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.