SCHEMBL5558644

SCHEMBL5558644

Cc1c(CCC(=O)N[C@@H](C)CC(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
PTGS1 P23219 4/20 0.52
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
BCL2L1 Q07817 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 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
SCHEMBL5558354 0.91 PTGS2 (0.58) PTGS2PTGS1BCL2L1CNR1CNR2
SCHEMBL5555572 0.90 PTGS2 (0.64) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5559477 0.90 PTGS2 (0.64) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5560576 0.90 AKR1C3 (0.49) PTGS2PTGS1AKR1C3AKR1C2BCL2L1
SCHEMBL5808142 0.89 PTGS2 (0.52) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5559114 0.87 AKR1C3 (0.45) PTGS2PTGS1AKR1C3AKR1C2BCL2L1
SCHEMBL5561374 0.87 PTGS2 (0.50) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5554899 0.86 PTGS2 (0.50) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5554495 0.85 PTGS2 (0.54) PTGS2PTGS1AKR1C3AKR1C2CNR1
SCHEMBL5558804 0.84 PTGS2 (0.52) PTGS2PTGS1AKR1C3AKR1C2CNR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
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
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO 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 PTGS2 3/4885PTGS1 6/4885AKR1C3 585/4885
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.