SCHEMBL6477108

SCHEMBL6477108

CC1=C2SC(C(=O)NCc3ccccc3)=NN2C(=O)C(Cc2ccc(F)c(F)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.39
S1PR3 Q99500 7/20 0.38
P2RX7 Q99572 1/20 0.37
HTT P42858 1/20 0.37
SCD O00767 2/20 0.37
MAPT P10636 2/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
CHRM4 P08173 1/20 0.35
CES2 O00748 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
SCHEMBL7063737 0.92 KLKB1 (0.39) S1PR3
SCHEMBL6477346 0.87 CES2 (0.36) P2RX7ALDH1A1CES2
SCHEMBL6477071 0.81 PTGER4 (0.38) PTGER4S1PR3P2RX7HTTMAPT
SCHEMBL6484455 0.81 PTGER4 (0.38) PTGER4S1PR3P2RX7HTTMAPT
SCHEMBL6484735 0.76 CES2 (0.35) P2RX7CES2
SCHEMBL6477069 0.76 S1PR3 (0.39) PTGER4S1PR3P2RX7HTTALDH1A1
SCHEMBL6818974 0.76 S1PR3 (0.35) PTGER4S1PR3HTTPPARG
SCHEMBL6289363 0.73 KDM4E (0.43) PTGER4S1PR3ALDH1A1
SCHEMBL6292748 0.73 MAOB (0.43) PTGER4S1PR3SCDMAPTALDH1A1
SCHEMBL6292798 0.73 PTGER4 (0.40) PTGER4S1PR3ALDH1A1CACNA1GCACNA1H

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897223-B2 Pyridine fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-05-24 US claimed
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US claimed
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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
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 1448/4885S1PR3 304/4885P2RX7 4572/4885
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 PTGER4 889/4885S1PR3 2042/4885P2RX7 516/4885

“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.