SCHEMBL6424830

SCHEMBL6424830

COC(=O)[C@@H](C)c1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.58
PTGS1 P23219 3/20 0.58
CNR2 P34972 1/20 0.49
AKR1C3 P42330 1/20 0.49

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
SCHEMBL6425109 1.00 PTGS2 (0.58) PTGS2PTGS1CNR2AKR1C3
SCHEMBL5797049 0.90 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5797636 0.90 PTGS2 (0.57) PTGS2PTGS1CNR2AKR1C3
SCHEMBL5814024 0.90 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5797635 0.90 PTGS2 (0.57) PTGS2PTGS1CNR2AKR1C3
SCHEMBL5797534 0.90 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6425175 0.89 PTGS2 (0.56) PTGS2PTGS1AKR1C3
SCHEMBL6425088 0.89 PTGS2 (0.56) PTGS2PTGS1AKR1C3
SCHEMBL5800804 0.89 PTGS2 (0.56) PTGS2PTGS1AKR1C3
SCHEMBL5545939 0.87 PTGS2 (0.65) PTGS2PTGS1AKR1C3

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 7/4885CNR2 13/4885

“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.