SCHEMBL6460941

SCHEMBL6460941

CCCNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)cc12.CCNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)cc12.CNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)cc12.Cc1c(CC(=O)NC(C)C)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1.Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1.Cc1c(CC(N)=O)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.48
PTGS1 P23219 4/20 0.48
TRPV1 Q8NER1 1/20 0.42
PLA2G2A P14555 1/20 0.42

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
SCHEMBL5813362 0.93 PTGS2 (0.58) PTGS2PTGS1TRPV1
SCHEMBL6461966 0.92 AKR1C3 (0.45) PTGS2PTGS1TRPV1PLA2G2A
SCHEMBL6464920 0.91 PTGS2 (0.49) PTGS2PTGS1TRPV1
SCHEMBL6460827 0.90 PTGS2 (0.40) PTGS2PTGS1PLA2G2A
SCHEMBL6465593 0.90 PTGS2 (0.47) PTGS2PTGS1TRPV1
SCHEMBL5559521 0.90 PTGS2 (0.47) PTGS2PTGS1TRPV1
SCHEMBL5560055 0.89 PTGS2 (0.48) PTGS2PTGS1TRPV1PLA2G2A
SCHEMBL6460231 0.88 PTGS2 (0.37) PTGS2PTGS1PLA2G2A
SCHEMBL6464800 0.87 PTGS2 (0.36) PTGS2PTGS1PLA2G2A
SCHEMBL6462581 0.86 PTGS2 (0.46) PTGS2PTGS1TRPV1PLA2G2A

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-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 PTGS2 3/4885PTGS1 6/4885TRPV1 201/4885

“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.