SCHEMBL4183041

SCHEMBL4183041

COc1ccccc1S(=O)(=O)NCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
ITGAV P06756 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
HTR6 P50406 1/20 0.50
MMP1 P03956 1/20 0.50
GAA P10253 1/20 0.50
MMP12 P39900 1/20 0.50
MEP1B Q16820 1/20 0.50
FABP4 P15090 2/20 0.49
KAT6A Q92794 1/20 0.49
ALDH1A1 P00352 2/20 0.48
PKLR P30613 1/20 0.46
ACLY P53396 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
SCHEMBL7283495 0.87 MAPT (0.59) MAPTSMN1; SMN2POLBMMP1GAA
SCHEMBL3203408 0.85 FABP4 (0.60) MAPTITGAVSMN1; SMN2POLBHTR6
SCHEMBL2676737 0.82 FABP4 (0.67) FABP4ALDH1A1PKLR
SCHEMBL7486079 0.79 SMN1; SMN2 (0.50) MAPTITGAVSMN1; SMN2HTR6FABP4
SCHEMBL7414871 0.79 ALDH1A1 (0.55) MAPTITGAVMMP1GAAMMP12
SCHEMBL28593071 0.79 SMN1; SMN2 (0.50) ITGAVSMN1; SMN2HTR6KAT6AALDH1A1
SCHEMBL10243380 0.78 ITGAV (0.51) MAPTITGAVSMN1; SMN2POLBHTR6
SCHEMBL3564486 0.78 L3MBTL1 (0.64) SMN1; SMN2POLBHTR6ALDH1A1
SCHEMBL8224006 0.76 HTR6 (0.55) ITGAVHTR6MMP1KAT6AACLY
SCHEMBL15467870 0.76 SMN1; SMN2 (0.50) SMN1; SMN2POLBHTR6ALDH1A1

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 MAPT 2771/4885ITGAV 4753/4885SMN1; SMN2 4316/4885

“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.