SCHEMBL5558823

SCHEMBL5558823

COc1cc2c(CC(=O)NCC(=O)O)c(C)n(C(=O)c3ccc(F)cc3)c2cc1F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.58
AKR1C2 P52895 4/20 0.58
PTGS2 P35354 11/20 0.55
PTGS1 P23219 3/20 0.55
ABCB1 P08183 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL5823728 0.95 AKR1C3 (0.53) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL5554578 0.94 AKR1C3 (0.55) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL5800372 0.93 PTGS2 (0.53) AKR1C3AKR1C2PTGS2PTGS1ABCB1
SCHEMBL5559508 0.91 AKR1C3 (0.59) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL5809154 0.91 PTGS2 (0.68) AKR1C3AKR1C2PTGS2PTGS1ABCB1
SCHEMBL5559100 0.91 AKR1C3 (0.56) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL6423575 0.90 AKR1C3 (0.55) AKR1C3AKR1C2PTGS2PTGS1SMN1; SMN2
SCHEMBL6461110 0.90 PTGS2 (0.55) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL5559675 0.89 PTGS2 (0.52) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL3002102 0.89 AKR1C3 (0.72) AKR1C3AKR1C2PTGS2PTGS1ABCB1

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 4 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-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 (1 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

“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.