SCHEMBL6838409

SCHEMBL6838409

CN(C)S(=O)(=O)c1ccc(C(O)c2ccc3ccc(C#CCc4ccccc4)cc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.36
LSS P48449 1/20 0.36
MMP13 P45452 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CNR2 P34972 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
AOC3 Q16853 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6216408 0.87 ALDH1A1 (0.35) ALDH1A1LMNALSSMMP13SMN1; SMN2
SCHEMBL6192938 0.87 LSS (0.39) LSSMMP13SMN1; SMN2FFAR1FFAR4
SCHEMBL6195243 0.86 CA2 (0.49) LMNALSSMMP13CA12CA1
SCHEMBL6211070 0.83 ALDH1A1 (0.39) ALDH1A1LMNAMMP13SMN1; SMN2CNR2
SCHEMBL6212937 0.83 ALDH1A1 (0.39) ALDH1A1LMNAMMP13SMN1; SMN2CNR2
SCHEMBL6194613 0.81 FFAR1 (0.40) LMNAMMP13FFAR1FFAR4
SCHEMBL6193294 0.80 MMP13 (0.47) MMP13FFAR1FFAR4TSHR
SCHEMBL6196246 0.80 MMP13 (0.43) LSSMMP13MAPTFFAR1FFAR4
SCHEMBL6838206 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTFFAR1FFAR4
SCHEMBL6192924 0.78 MMP13 (0.51) ALDH1A1MMP13SMN1; SMN2MAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 US 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 ALDH1A1 1588/4885LMNA 1548/4885LSS 2553/4885

“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.