SCHEMBL3207687

SCHEMBL3207687

CC(c1ccccc1)S(=O)(=O)NCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ATM Q13315 1/20 0.42
PKLR P30613 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TBXA2R P21731 1/20 0.42
MEN1 O00255 1/20 0.42
NSD2 O96028 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4170789 0.83 MMP12 (0.46) CA12CA7CA9CA14CYP2C19
SCHEMBL2842451 0.75 GRIA1 (0.56) CA12CA7CA9CA14ATM
SCHEMBL5863381 0.75 CYP2C19 (0.49) CA12CA7CA9CA14CYP2C19
SCHEMBL2392454 0.74 KMT2A (0.43) CYP2C19KDM4ECYP2D6ALDH1A1MEN1
SCHEMBL13189591 0.73 ALDH1A1 (0.44) CYP2C19KDM4ECYP3A4CYP2D6ALDH1A1
SCHEMBL16503498 0.73 ALDH1A1 (0.44) CYP2C19KDM4ECYP3A4CYP2D6ALDH1A1
SCHEMBL25360452 0.73 CYP3A4 (0.59) CA12CA7CA9CA14CYP2C19
SCHEMBL27943340 0.73 CYP3A4 (0.59) CA12CA7CA9CA14CYP2C19
SCHEMBL2749557 0.73 CYP3A4 (0.59) CA12CA7CA9CA14CYP2C19
SCHEMBL9570165 0.72 ALDH1A1 (0.41) KDM4EALDH1A1POLBKMT2ALMNA

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 CA12 4689/4885CA7 3088/4885CA9 4307/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CA12 1320/4885CA7 391/4885CA9 1550/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CA12 4676/4885CA7 2864/4885CA9 4230/4885

“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.