SCHEMBL1646356

SCHEMBL1646356

CN(C)C(=O)CC(C(=O)O)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 1/20 0.54
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SRC P12931 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6461974 0.80 L3MBTL1 (0.62) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL28017822 0.80 L3MBTL1 (0.62) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL28657519 0.79 SMN1; SMN2 (0.48) L3MBTL1GAAALDH1A1POLBLMNA
SCHEMBL1647112 0.78 GABBR2 (0.42) L3MBTL1GAAALDH1A1ESR1ESR2
Trifluoroacetic Acid SCHEMBL28512879 0.78 ALDH1A1 (0.45) L3MBTL1GAAALDH1A1POLBCYP2C19
SCHEMBL3906406 0.77 GAA (0.55) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL1646749 0.76 MAPT (0.62) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL3554144 0.76 L3MBTL1 (0.54) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL819392 0.76 LMNA (0.61) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL9702510 0.75 ESR1 (0.50) L3MBTL1GAAALDH1A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208882-A1 Organic Compounds DANAHAY HENRY LUKE (GB) 2012-08-16 US disclosed
EP-2305639-A2 Organic compounds Novartis AG (CH) 2011-04-06 EP disclosed
EP-2253612-A1 Organic compounds Novartis AG (CH) 2010-11-24 EP disclosed
US-20090203777-A1 ORGANIC COMPOUNDS MAAS, JANET CATHERINE (GB) 2009-08-13 US disclosed
EP-1874726-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006108643-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-10-19 WO disclosed
US-4021472-A ANTIPLASMIN AND ANTITRYPSIN ONO PHARMACEUTICAL CO., LTD. (JA) 1977-05-03 US 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 (2 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-20120208882-A1 Organic Compounds CFTR, OTC, ASIC1 L3MBTL1 3620/4885GAA 50/4885ALDH1A1 489/4885
US-20090203777-A1 ORGANIC COMPOUNDS CFTR, OTC, ASIC1 L3MBTL1 3620/4885GAA 50/4885ALDH1A1 489/4885

“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.