SCHEMBL6424787

SCHEMBL6424787

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.54
PTGS1 P23219 2/20 0.54
AKR1C3 P42330 4/20 0.48
AKR1C2 P52895 3/20 0.48
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ABCB1 P08183 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
SCHEMBL6425643 0.92 PTGS2 (0.52) PTGS2PTGS1AKR1C3AKR1C2CYP1A1
SCHEMBL6426959 0.90 PTGS2 (0.52) PTGS2PTGS1AKR1C3AKR1C2CYP1A1
SCHEMBL6423636 0.89 AKR1C3 (0.48) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL2012398 0.89 PTGS2 (0.57) PTGS2PTGS1AKR1C3AKR1C2ABCB1
SCHEMBL6424840 0.89 PTGS2 (0.59) PTGS2PTGS1AKR1C3AKR1C2ABCB1
SCHEMBL6424100 0.89 PTGS2 (0.67) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL5559161 0.89 PTGS2 (0.53) PTGS2PTGS1AKR1C3AKR1C2CYP1A1
SCHEMBL6426532 0.89 PTGS1 (0.55) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6425981 0.88 PTGS2 (0.51) PTGS2PTGS1AKR1C3AKR1C2CYP1A1
SCHEMBL6424194 0.88 PTGS2 (0.51) PTGS2PTGS1AKR1C3AKR1C2CYP1A1

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.