SCHEMBL6461985

SCHEMBL6461985

CCCNC(=O)Cc1c(C)n(C(=O)c2ccc(F)c(F)c2)c2ccc(O)c(F)c12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(F)c(F)c2)c2ccc(O)c(F)c12.CNC(=O)Cc1c(C)n(C(=O)c2ccc(F)c(F)c2)c2ccc(O)c(F)c12.Cc1c(CC(=O)NC(C)C)c2c(F)c(O)ccc2n1C(=O)c1ccc(F)c(F)c1.Cc1c(CC(=O)O)c2c(F)c(O)ccc2n1C(=O)c1ccc(F)c(F)c1.Cc1c(CC(N)=O)c2c(F)c(O)ccc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
PTGS1 P23219 3/20 0.34
HRH4 Q9H3N8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL6462455 0.94 PTGS2 (0.35) PTGS2AKR1C3AKR1C2PTGS1HRH4
SCHEMBL6468452 0.93 PTGS2 (0.36) PTGS2AKR1C3AKR1C2PTGS1HRH4
SCHEMBL6462430 0.93 PTGS2 (0.42) PTGS2AKR1C3AKR1C2PTGS1HRH4
SCHEMBL6464802 0.92 PTGS2 (0.36) PTGS2AKR1C3AKR1C2PTGS1HRH4
SCHEMBL6460231 0.92 PTGS2 (0.37) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL6460340 0.91 AKR1C3 (0.38) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL6462135 0.90 PTGS2 (0.39) PTGS2AKR1C3AKR1C2PTGS1HRH4
SCHEMBL6465489 0.89 PTGS2 (0.37) PTGS2AKR1C3AKR1C2
SCHEMBL5800215 0.89 PTGS2 (0.42) PTGS2PTGS1HRH4
SCHEMBL6465593 0.89 PTGS2 (0.47) PTGS2AKR1C3AKR1C2PTGS1

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 3/4885AKR1C3 585/4885AKR1C2 342/4885

“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.