SCHEMBL3483003

SCHEMBL3483003

Cc1ccc(S(=O)(=O)CCCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 6/20 0.55
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
PAX8 Q06710 2/20 0.46

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
SCHEMBL5164246 0.83 KMT2A (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL7868885 0.83 KMT2A (0.57) ALDH1A1KMT2ALMNAGAAPAX8
SCHEMBL11452472 0.83 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3483301 0.80 PSMD10 (0.41) ALDH1A1KMT2AMEN1GAA
SCHEMBL30850500 0.80 KMT2A (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL18530452 0.79 PSMD10 (0.40) ALDH1A1KMT2AMEN1
SCHEMBL31682038 0.78 HDAC8 (0.41) ALDH1A1KMT2AMEN1
SCHEMBL6328499 0.78 HDAC8 (0.41) ALDH1A1KMT2AMEN1
SCHEMBL22029384 0.78 HDAC8 (0.41) ALDH1A1KMT2AMEN1
SCHEMBL29223514 0.78 HDAC8 (0.41) ALDH1A1KMT2AMEN1

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 ALDH1A1 3241/4885CYP3A4 1124/4885CYP2C9 777/4885

“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.