SCHEMBL3482877

SCHEMBL3482877

CC[C@H](OS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.37
P2RX4 Q99571 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MDM2 Q00987 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
DHODH Q02127 1/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL3482879 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTGAALMNA
SCHEMBL2328955 0.90 KMT2A (0.46) ALDH1A1KMT2AMAPTGAALMNA
SCHEMBL17789129 0.85 KMT2A (0.44) ALDH1A1KMT2AMAPTGAALMNA
SCHEMBL31712160 0.85 KMT2A (0.44) ALDH1A1KMT2AMAPTGAALMNA
SCHEMBL2326857 0.85 KMT2A (0.44) ALDH1A1KMT2AMAPTGAALMNA
SCHEMBL1990107 0.82 SMN1; SMN2 (0.43) ALDH1A1KMT2AGAARECQLSMN1; SMN2
SCHEMBL3064836 0.82 SMN1; SMN2 (0.43) ALDH1A1KMT2AGAARECQLSMN1; SMN2
SCHEMBL13433912 0.82 KMT2A (0.40) ALDH1A1KMT2AGAALMNARECQL
SCHEMBL7265141 0.82 SMN1; SMN2 (0.43) ALDH1A1KMT2AGAARECQLSMN1; SMN2
SCHEMBL21433677 0.82 GBA1 (0.39) ALDH1A1KMT2AMAPTGAASMN1; SMN2

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 3241/4885KMT2A 1951/4885MAPT 2274/4885

“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.