SCHEMBL3483299

SCHEMBL3483299

Cc1ccc(S(=O)(=O)OCC[C@H](CC(C)C)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.42
PPARG P37231 1/20 0.41
KEAP1 Q14145 3/20 0.40
NFE2L2 Q16236 3/20 0.40
MCL1 Q07820 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
AIMP2 Q13155 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL20801621 0.86 STAT3 (0.44) STAT3PPARGKEAP1NFE2L2CTDSP1
SCHEMBL6323071 0.81 CA9 (0.43) STAT3ALDH1A1NPC1RAB9AMDM2
SCHEMBL1660141 0.79 STAT3 (0.43) STAT3CTDSP1SIRT5ALDH1A1NPC1
SCHEMBL1120039 0.79 STAT3 (0.43) STAT3CTDSP1SIRT5ALDH1A1NPC1
SCHEMBL3979818 0.79 STAT3 (0.43) STAT3CTDSP1SIRT5ALDH1A1NPC1
SCHEMBL3482999 0.79 ALDH1A1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL17233364 0.78 CA9 (0.43) STAT3KEAP1NFE2L2ALDH1A1MEN1
SCHEMBL5569851 0.76 STAT3 (0.43) STAT3CTDSP1SIRT5ALDH1A1MEN1
SCHEMBL29223431 0.76 STAT3 (0.45) STAT3PPARGKEAP1NFE2L2CTDSP1
SCHEMBL5665599 0.76 STAT3 (0.45) STAT3CTDSP1SIRT5ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683092-B2 Crystalline forms of antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
EP-1858844-A4 NOVEL CRYSTALLINE FORMS OF ANTIDIABETIC COMPOUNDS MERCK & CO INC (US) 2009-04-22 EP disclosed
US-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds MERCK SHARP & DOHME CORP. 2008-09-11 US disclosed
EP-1858844-A1 NOVEL CRYSTALLINE FORMS OF ANTIDIABETIC COMPOUNDS Merck & Co., Inc. (US) 2007-11-28 EP disclosed
WO-2006099077-A1 NOVEL CRYSTALLINE FORMS OF ANTIDIABETIC COMPOUNDS MERCK & CO., INC. (US) 2006-09-21 WO 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-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds FFAR2, PPARG, PPARA STAT3 412/4885PPARG 2/4885KEAP1 4218/4885

“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.