SCHEMBL5559653

SCHEMBL5559653

Cc1c(CCC(=O)NC[C@H](C)C(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.49
AKR1C2 P52895 6/20 0.49
PTGS2 P35354 8/20 0.45
PTGS1 P23219 4/20 0.45
PLA2G4A P47712 1/20 0.39
PLA2G2A P14555 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6428255 0.91 PTGS2 (0.53) AKR1C3AKR1C2PTGS2PTGS1TRPV1
SCHEMBL5558804 0.90 PTGS2 (0.52) AKR1C3AKR1C2PTGS2PTGS1PLA2G4A
SCHEMBL5814583 0.89 AKR1C3 (0.44) AKR1C3AKR1C2PTGS2PTGS1PLA2G4A
SCHEMBL6423086 0.89 PTGS2 (0.50) AKR1C3AKR1C2PTGS2PTGS1PLA2G4A
SCHEMBL5800605 0.88 PTGS2 (0.52) AKR1C3AKR1C2PTGS2PTGS1TRPV1
SCHEMBL5559639 0.87 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1PLA2G2A
SCHEMBL5559888 0.86 PTGS2 (0.50) AKR1C3AKR1C2PTGS2PTGS1PLA2G4A
SCHEMBL5559465 0.86 PTGS2 (0.63) AKR1C3AKR1C2PTGS2PTGS1TRPV1
SCHEMBL5560038 0.86 PTGS2 (0.63) AKR1C3AKR1C2PTGS2PTGS1TRPV1
SCHEMBL5809764 0.85 AKR1C3 (0.41) AKR1C3AKR1C2PTGS2PTGS1PLA2G4A

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

“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.