SCHEMBL5560656

SCHEMBL5560656

Cc1c(CCC(=O)NCCC(=O)O)c2cc(O)c(F)cc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.50
AKR1C2 P52895 4/20 0.50
PTGS1 P23219 7/20 0.44
PTGS2 P35354 10/20 0.40
PLA2G4A P47712 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL5555236 0.92 AKR1C3 (0.50) AKR1C3AKR1C2PTGS1PTGS2PLA2G4A
SCHEMBL5559738 0.92 AKR1C3 (0.61) AKR1C3AKR1C2PTGS1PTGS2HRH4
SCHEMBL5559617 0.92 PTGS2 (0.49) AKR1C3AKR1C2PTGS1PTGS2HRH4
SCHEMBL5553809 0.90 AKR1C3 (0.50) AKR1C3AKR1C2PTGS1PTGS2PLA2G4A
SCHEMBL5559181 0.89 AKR1C3 (0.49) AKR1C3AKR1C2PTGS1PTGS2PLA2G4A
SCHEMBL6423742 0.89 AKR1C3 (0.48) AKR1C3AKR1C2PTGS1PTGS2PLA2G4A
SCHEMBL5558944 0.89 AKR1C3 (0.55) AKR1C3AKR1C2PTGS1PTGS2HRH4
SCHEMBL6427379 0.86 AKR1C3 (0.46) AKR1C3AKR1C2PTGS1PTGS2PLA2G4A
SCHEMBL5558760 0.86 AKR1C3 (0.47) AKR1C3AKR1C2PTGS1PTGS2HRH4
SCHEMBL5561215 0.85 AKR1C3 (0.46) AKR1C3AKR1C2PTGS1PTGS2

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 AKR1C3 585/4885AKR1C2 342/4885PTGS1 6/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885PTGS1 7/4885

“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.