SCHEMBL5559355

SCHEMBL5559355

Cc1c(CC(=O)NCC(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.44
AKR1C2 P52895 5/20 0.44
PTGS2 P35354 8/20 0.38
PTGS1 P23219 3/20 0.37
EGLN1 Q9GZT9 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RX7 Q99572 3/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL6465491 0.92 PTGS2 (0.41) AKR1C3AKR1C2PTGS2PTGS1TP53
SCHEMBL5801325 0.91 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2PTGS1TP53
SCHEMBL5800318 0.90 AKR1C3 (0.41) AKR1C3AKR1C2PTGS2PTGS1TP53
SCHEMBL5555389 0.89 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1MAPT
SCHEMBL5560930 0.89 PTGS2 (0.41) AKR1C3AKR1C2PTGS2PTGS1TP53
SCHEMBL5558996 0.89 PTGS2 (0.46) AKR1C3AKR1C2PTGS2PTGS1TP53
SCHEMBL6465001 0.89 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2PTGS1EGLN1
SCHEMBL5558681 0.89 PTGS2 (0.43) AKR1C3AKR1C2PTGS2PTGS1P2RX7
SCHEMBL6426606 0.88 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2PTGS1TP53
SCHEMBL5560407 0.87 AKR1C3 (0.42) AKR1C3AKR1C2PTGS2TP53MAPT

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
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-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.