SCHEMBL6465812

SCHEMBL6465812

CCCC[C@@](C)(C(=O)O)c1c(C)n(C(=O)c2ccc(Cl)c(F)c2)c2ccc(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.45
PTGS1 P23219 3/20 0.45
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
RORC P51449 1/20 0.36
PPARG P37231 1/20 0.34

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
SCHEMBL6461250 0.94 PTGS1 (0.46) PTGS2PTGS1AKR1C3AKR1C2RORC
SCHEMBL6425945 0.92 PTGS2 (0.47) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6425393 0.92 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL6452271 0.92 PTGS1 (0.47) PTGS2PTGS1AKR1C3AKR1C2RORC
SCHEMBL6425614 0.88 PTGS2 (0.59) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6423722 0.88 PTGS2 (0.59) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6425940 0.86 PTGS1 (0.48) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6425774 0.86 PTGS1 (0.46) PTGS2PTGS1AKR1C3AKR1C2RORC
SCHEMBL6462995 0.86 AKR1C3 (0.33) PTGS2PTGS1AKR1C3AKR1C2RORC
SCHEMBL6452550 0.86 PTGS1 (0.47) PTGS2PTGS1AKR1C3AKR1C2RORC

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 7/4885AKR1C3 577/4885

“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.