SCHEMBL3203408

SCHEMBL3203408

COc1ccccc1S(=O)(=O)NCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.60
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ITGAV P06756 1/20 0.49
LMNA P02545 1/20 0.49
PKLR P30613 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
HTR6 P50406 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
KAT6A Q92794 1/20 0.47

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
SCHEMBL2676737 0.92 FABP4 (0.67) FABP4ALDH1A1LMNAPKLRCA12
SCHEMBL4183041 0.85 MAPT (0.68) FABP4MAPTSMN1; SMN2ALDH1A1ITGAV
SCHEMBL7486079 0.83 SMN1; SMN2 (0.50) FABP4MAPTSMN1; SMN2ALDH1A1ITGAV
SCHEMBL10461810 0.82 ALDH1A1 (0.54) FABP4MAPTSMN1; SMN2ALDH1A1ITGAV
SCHEMBL2948658 0.82 MAPT (0.76) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL3564486 0.81 L3MBTL1 (0.64) SMN1; SMN2ALDH1A1POLBCA12CA9
SCHEMBL10243380 0.81 ITGAV (0.51) FABP4MAPTSMN1; SMN2ALDH1A1ITGAV
SCHEMBL15467870 0.80 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAPOLBCA12
SCHEMBL4617734 0.79 ALDH1A1 (0.63) FABP4SMN1; SMN2ALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL27202572 0.79 CYP3A4 (0.51) SMN1; SMN2ALDH1A1LMNACA12CA9

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-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 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 (3 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 FABP4 14/4885MAPT 2499/4885SMN1; SMN2 24/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 FABP4 1959/4885MAPT 2324/4885SMN1; SMN2 3451/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 FABP4 15/4885MAPT 2212/4885SMN1; SMN2 29/4885

“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.