SCHEMBL2525409

SCHEMBL2525409

O=C(O)CC1NC(=O)c2cc(O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MAOA P21397 1/20 0.35
UGT1A1 P22309 1/20 0.35
MAOB P27338 1/20 0.35
APEX1 P27695 1/20 0.35
DYRK1A Q13627 1/20 0.34
KRAS P01116 1/20 0.34
AKR1B1 P15121 2/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL18215447 0.86 HSD17B10 (0.47) HSD17B10CYP1A2KMT2AGAAAPEX1
SCHEMBL18209306 0.86 HSD17B10 (0.47) HSD17B10CYP1A2KMT2AGAAAPEX1
SCHEMBL11363508 0.83 HSD17B10 (0.47) HSD17B10CYP1A2GAA
SCHEMBL11358485 0.83 HSD17B10 (0.47) HSD17B10CYP1A2GAAAPEX1AKR1B1
SCHEMBL12214779 0.82 CYP1A2 (0.51) HSD17B10CYP1A2KMT2AGAAESR1
SCHEMBL11195319 0.80 HSD17B10 (0.43) HSD17B10CYP1A2KMT2AATM
SCHEMBL11367277 0.80 ATM (0.56) HSD17B10CYP1A2ATM
SCHEMBL18215418 0.79 HSD17B10 (0.73) HSD17B10CYP1A2GAA
SCHEMBL18215470 0.79 HSD17B10 (0.73) HSD17B10CYP1A2GAA
SCHEMBL31133079 0.79 HSD17B10 (0.73) HSD17B10CYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079467-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2015-11-18 EP disclosed
US-8039484-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2011-10-18 US disclosed
US-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-04-29 US disclosed
EP-2079467-A2 ANTIDIABETIC BICYCLIC COMPOUNDS Merck & Co., Inc. (US) 2009-07-22 EP disclosed
EP-2001844-A2 BICYCLIC CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2008-12-17 EP disclosed
WO-2008054675-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-08 WO disclosed
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2007-10-18 US disclosed
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2007-10-18 US disclosed
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2007-10-18 US disclosed
WO-2007106469-A2 BICYCLIC CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-09-20 WO disclosed
WO-2007106469-A2 BICYCLIC CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-09-20 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 (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-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, FFAR2, GPR65 HSD17B10 139/4885CYP1A2 1067/4885KMT2A 2688/4885
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders GOT2, PC, GOT1 HSD17B10 104/4885CYP1A2 208/4885KMT2A 2568/4885

“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.