SCHEMBL6216404

SCHEMBL6216404

CN(C)S(=O)(=O)c1ccc(Cc2c(O)cc3ccc(C#CCc4ccccc4)cc3c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.41
ALDH1A1 P00352 4/20 0.36
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6197336 1.00 MMP13 (0.41) MMP13ALDH1A1FFAR1FFAR4SMN1; SMN2
SCHEMBL6194562 0.89 MMP13 (0.43) MMP13FFAR1FFAR4SLC22A8
SCHEMBL6192801 0.89 MMP13 (0.43) MMP13FFAR1FFAR4SLC22A8
SCHEMBL6192746 0.88 MMP13 (0.52) MMP13FFAR1FFAR4
SCHEMBL6194093 0.88 MMP13 (0.43) MMP13FFAR1FFAR4SLC22A8
SCHEMBL6190914 0.88 MMP13 (0.52) MMP13FFAR1FFAR4
SCHEMBL6212808 0.88 MMP13 (0.43) MMP13FFAR1FFAR4SLC22A8
SCHEMBL6838408 0.86 MMP13 (0.40) MMP13
SCHEMBL6197340 0.86 MMP13 (0.40) MMP13
SCHEMBL6212049 0.85 MMP13 (0.42) MMP13ALDH1A1FFAR1FFAR4SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539163-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 US disclosed
WO-2004014377-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX 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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors MMP9, MMP8, MMP13 MMP13 3/4885ALDH1A1 1588/4885FFAR1 2162/4885

“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.