SCHEMBL6424950

SCHEMBL6424950

Cc1c(C(C(=O)O)C2CCCC2)c2cc(O)ccc2n1C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.43
PTGS1 P23219 2/20 0.43
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
MGLL Q99685 3/20 0.35
PDE2A O00408 1/20 0.35
GAA P10253 1/20 0.35
TACR3 P29371 5/20 0.34
TACR2 P21452 3/20 0.34
TACR1 P25103 2/20 0.34
KCNH2 Q12809 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
SCHEMBL6423941 0.98 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2MGLL
SCHEMBL6426823 0.92 PTGS2 (0.42) PTGS2PTGS1AKR1C3AKR1C2MGLL
SCHEMBL6425904 0.92 PTGS2 (0.45) PTGS2PTGS1GAA
SCHEMBL6427348 0.90 PTGS2 (0.42) PTGS2PTGS1AKR1C3AKR1C2MGLL
SCHEMBL6423232 0.90 PTGS2 (0.45) PTGS2PTGS1GAA
SCHEMBL6423781 0.89 PDE2A (0.35) PTGS2AKR1C3AKR1C2MGLLPDE2A
SCHEMBL5560154 0.88 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL6425963 0.87 PDE2A (0.35) PTGS2AKR1C3AKR1C2MGLLPDE2A
SCHEMBL6423884 0.86 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5554564 0.85 PTGS2 (0.49) PTGS2PTGS1AKR1C3AKR1C2

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.