SCHEMBL6425847

SCHEMBL6425847

CCC(C)[C@@H](C(=O)O)c1c(C)n(C(=S)c2ccc(C)cc2)c2cc(Cl)c(O)cc12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PTGS2 P35354 4/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL5558576 1.00 CA1 (0.36) CA1CA2PTGS2PTGS1
SCHEMBL6426702 1.00 CA1 (0.36) CA1CA2PTGS2PTGS1
SCHEMBL6424964 0.90 PTGS2 (0.39) CA1CA2PTGS2PTGS1
SCHEMBL6424152 0.90 PTGS2 (0.39) CA1CA2PTGS2PTGS1
SCHEMBL6425008 0.90 PTGS2 (0.39) CA1CA2PTGS2PTGS1
SCHEMBL6425011 0.90 PTGS2 (0.39) CA1CA2PTGS2PTGS1
SCHEMBL6424154 0.90 PTGS2 (0.39) CA1CA2PTGS2PTGS1
SCHEMBL5560858 0.90 PTGS2 (0.33) CA1CA2PTGS2PTGS1
SCHEMBL6423242 0.89 CA1 (0.30) CA1CA2
SCHEMBL6425589 0.89 CA1 (0.30) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 CA1 960/4885CA2 1164/4885PTGS2 4/4885

“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.