SCHEMBL4170793

SCHEMBL4170793

O=C(O)CNS(=O)(=O)CCc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 7/20 0.82
MMP13 P45452 6/20 0.82
MMP8 P22894 5/20 0.82
MMP1 P03956 2/20 0.73
MMP7 P09237 1/20 0.73
CASP1 P29466 2/20 0.55
IDO1 P14902 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.47
KEAP1 Q14145 1/20 0.47
ACLY P53396 1/20 0.47
PTGES2 Q9H7Z7 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL8487453 0.85 MMP8 (0.70) MMP12MMP13MMP8MMP1MMP7
SCHEMBL8101285 0.84 MMP12 (0.61) MMP12MMP13MMP8MMP1MMP7
SCHEMBL5281032 0.83 MMP8 (0.62) MMP12MMP13MMP8MMP1MMP7
SCHEMBL3207695 0.83 MMP8 (0.60) MMP12MMP13MMP8MMP1MMP7
SCHEMBL4174812 0.81 MMP8 (0.75) MMP12MMP13MMP8MMP1MMP7
SCHEMBL4170728 0.80 MMP8 (0.56) MMP12MMP13MMP8MMP1MMP7
SCHEMBL15754219 0.79 L3MBTL1 (0.64) MMP12MMP13MMP8MMP1MMP7
SCHEMBL11108606 0.79 L3MBTL1 (0.59) MMP12MMP13MMP8MMP1MMP7
SCHEMBL9002519 0.79 MMP8 (0.59) MMP12MMP13MMP8MMP1MMP7
SCHEMBL3836194 0.78 MMP8 (0.58) MMP12MMP13MMP8MMP1MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin SHISEIDO COMPANY LTD (JP) 2009-08-27 US disclosed
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP 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-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin CUTA, STOM, MTOR MMP12 1873/4885MMP13 1841/4885MMP8 1636/4885

“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.