SCHEMBL6484455

SCHEMBL6484455

CC1=C2OC(C(=O)NCc3ccccc3)=NN2C(=O)C(Cc2ccc(F)c(F)c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
MAPT P10636 2/20 0.38
S1PR3 Q99500 7/20 0.38
P2RX7 Q99572 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6477074 0.86 CES2 (0.33) POLBTSHRALDH1A1
SCHEMBL6477069 0.82 S1PR3 (0.39) PTGER4S1PR3P2RX7KDM4EMAPK1
SCHEMBL6477108 0.81 PTGER4 (0.39) PTGER4MAPTS1PR3P2RX7HTT
SCHEMBL6477071 0.81 PTGER4 (0.38) PTGER4MAPTS1PR3P2RX7HTT
SCHEMBL7064689 0.77 KLKB1 (0.41) S1PR3
SCHEMBL6818974 0.75 S1PR3 (0.35) PTGER4S1PR3KDM4EMAPK1RAB9A
SCHEMBL7063737 0.75 KLKB1 (0.39) S1PR3
SCHEMBL8334774 0.73 CYP2C19 (0.42) KDM4EMAPK1HSD17B10CYP1A2CYP2D6
SCHEMBL6814257 0.73 NAMPT (0.39) S1PR3KDM4EMAPK1SMN1; SMN2HSD17B10
SCHEMBL6289363 0.72 KDM4E (0.43) PTGER4S1PR3KDM4EMAPK1RAB9A

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
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US claimed
US-6897223-B2 Pyridine fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-05-24 US disclosed
US-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors JOHNSON ADAM RICHARD (US) 2004-04-01 US disclosed
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 PTGER4 1448/4885MAPT 2540/4885S1PR3 304/4885
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 PTGER4 889/4885MAPT 4485/4885S1PR3 2042/4885

“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.