SCHEMBL6426417

SCHEMBL6426417

Cc1c(CCC(=O)NC[C@H](C)C(=O)O)c2cc(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
PLA2G4A P47712 1/20 0.43
PTGS2 P35354 9/20 0.41
PTGS1 P23219 3/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL5814583 0.92 AKR1C3 (0.44) AKR1C3AKR1C2PLA2G4APTGS2PTGS1
SCHEMBL6424351 0.92 PTGS2 (0.49) AKR1C3AKR1C2PTGS2PTGS1TP53
SCHEMBL5559683 0.92 AKR1C3 (0.55) AKR1C3AKR1C2PLA2G4APTGS2PTGS1
SCHEMBL6427379 0.90 AKR1C3 (0.46) AKR1C3AKR1C2PLA2G4APTGS2PTGS1
SCHEMBL5561463 0.89 AKR1C3 (0.46) AKR1C3AKR1C2PLA2G4APTGS2PTGS1
SCHEMBL5560274 0.89 AKR1C3 (0.46) AKR1C3AKR1C2PLA2G4APTGS2PTGS1
SCHEMBL5559181 0.87 AKR1C3 (0.49) AKR1C3AKR1C2PLA2G4APTGS2PTGS1
SCHEMBL5558804 0.87 PTGS2 (0.52) AKR1C3AKR1C2PLA2G4APTGS2PTGS1
SCHEMBL5558854 0.87 AKR1C3 (0.40) AKR1C3AKR1C2PLA2G4APTGS2PTGS1
SCHEMBL5559114 0.85 AKR1C3 (0.45) AKR1C3AKR1C2PLA2G4APTGS2PTGS1

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 2 patents. 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
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 (2 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 AKR1C3 585/4885AKR1C2 342/4885PLA2G4A 39/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885PLA2G4A 42/4885

“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.