SCHEMBL6426825

SCHEMBL6426825

COc1cc2c(C(C(=O)O)C3CCC3)c(C)n(C(=O)c3ccc(OC(F)(F)F)cc3)c2cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.49
PTGS1 P23219 1/20 0.49
MAPK7 Q13164 2/20 0.42
PPARG P37231 9/20 0.41
PDE4B Q07343 2/20 0.41
PDE4D Q08499 1/20 0.41
PPARA Q07869 3/20 0.40
ABCB1 P08183 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL6423390 0.98 PTGS2 (0.49) PTGS2PTGS1MAPK7PPARGPDE4B
SCHEMBL6427114 0.91 PPARG (0.42) MAPK7PPARGPDE4BPDE4DPPARA
SCHEMBL6425163 0.90 PTGS2 (0.48) PTGS2PTGS1MAPK7PPARGABCB1
SCHEMBL6423643 0.90 MGLL (0.39) PTGS2PTGS1MAPK7PPARGPPARA
SCHEMBL6423710 0.89 PTGS2 (0.47) PTGS2PTGS1MAPK7PPARGABCB1
SCHEMBL6426815 0.89 PDE4B (0.43) PTGS2MAPK7PPARGPDE4BPDE4D
SCHEMBL6425457 0.89 PTGS2 (0.50) PTGS2PTGS1MAPK7ABCB1
SCHEMBL6425755 0.89 PTGS2 (0.52) PTGS2PTGS1MAPK7PPARGABCB1
SCHEMBL6423345 0.89 PTGS2 (0.59) PTGS2PTGS1PPARGABCB1
SCHEMBL5559188 0.88 PTGS2 (0.39) PTGS2MAPK7PPARGPDE4BPDE4D

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 PTGS2 4/4885PTGS1 7/4885MAPK7 2506/4885

“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.