SCHEMBL5558987

SCHEMBL5558987

COc1ccc2c(c1)c(CC(=O)NCC(C)C(=O)O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.71
AKR1C3 P42330 2/20 0.61
AKR1C2 P52895 2/20 0.61
PTGS1 P23219 2/20 0.61
HRH4 Q9H3N8 1/20 0.60

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
SCHEMBL5553949 0.91 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL5553850 0.90 PTGS2 (0.71) PTGS2PTGS1HRH4
SCHEMBL5560595 0.89 PTGS2 (0.69) PTGS2AKR1C3AKR1C2
SCHEMBL5558980 0.88 PTGS2 (0.55) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL5813612 0.88 PTGS2 (0.60) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL6463554 0.88 PTGS2 (0.71) PTGS2AKR1C3AKR1C2PTGS1HRH4
SCHEMBL5800579 0.87 PTGS2 (0.68) PTGS2AKR1C3AKR1C2PTGS1HRH4
SCHEMBL5554686 0.87 PTGS2 (0.67) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL6425966 0.86 PTGS2 (0.53) PTGS2AKR1C3AKR1C2
SCHEMBL5554155 0.86 PTGS2 (0.66) PTGS2AKR1C3AKR1C2PTGS1HRH4

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 5 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
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 3/4885AKR1C3 585/4885AKR1C2 342/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885AKR1C3 577/4885AKR1C2 563/4885

“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.