SCHEMBL6477346

SCHEMBL6477346

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 11/20 0.36
TDP2 O95551 1/20 0.33
P2RX7 Q99572 1/20 0.32
P2RY14 Q15391 1/20 0.32
GRM4 Q14833 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31

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
SCHEMBL6477108 0.87 PTGER4 (0.39) CES2P2RX7ALDH1A1
SCHEMBL6484735 0.80 CES2 (0.35) CES2P2RX7GRM4
SCHEMBL7063737 0.80 KLKB1 (0.39)
SCHEMBL6486635 0.77 P2RY14 (0.32) P2RX7P2RY14ALDH1A1
SCHEMBL6482492 0.77 DAO (0.34) CES2TDP2P2RY14ALDH1A1
SCHEMBL6477074 0.77 CES2 (0.33) CES2TDP2P2RY14ALDH1A1
SCHEMBL6477879 0.71 KDM5A (0.33) P2RX7P2RY14ALDH1A1
SCHEMBL6477071 0.71 PTGER4 (0.38) P2RX7ALDH1A1
SCHEMBL6484455 0.71 PTGER4 (0.38) P2RX7ALDH1A1
SCHEMBL6488442 0.70 ALDH1A1 (0.34) P2RY14ALDH1A1

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-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-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US 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 (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-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 CES2 2239/4885TDP2 1936/4885P2RX7 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.