SCHEMBL982455

SCHEMBL982455

CCCC(=O)C(C(=O)CCC)C(=O)CCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
CES1 P23141 3/20 0.50
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
FFAR3 O14843 3/20 0.47
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
CTSD P07339 1/20 0.39

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
SCHEMBL28377127 0.87 CES2 (0.58) CES2CES1TSHRALDH1A1
SCHEMBL4940589 0.85 HDAC1 (0.48) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL11556450 0.85 CES1 (0.43) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL11727566 0.85 CES1 (0.43) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL25616618 0.84 CA1 (0.46) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL28963366 0.83 CES2 (0.41) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL6138485 0.81 FFAR3 (0.48) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL8154876 0.81 HAO1 (0.44) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL10590670 0.79 CES2 (0.62) CES2CES1TSHRALDH1A1
SCHEMBL1318841 0.79 HDAC1 (0.42) CES2CES1HDAC3HDAC1HDAC2

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
EP-2247580-B1 QUINOXALINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2015-07-08 EP disclosed
US-8835634-B2 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2014-09-16 US disclosed
US-20130123257-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2013-05-16 US disclosed
US-8415352-B2 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-04-09 US disclosed
US-20110015194-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT (DE) 2011-01-20 US disclosed
EP-2247580-A1 QUINOXALINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2010-11-10 EP disclosed
WO-2009109258-A1 QUINOXALINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-09-11 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-20130123257-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GPR119, IAPP, GLP1R CES2 2403/4885CES1 549/4885HDAC3 3456/4885
US-20110015194-A1 Quinoxalinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GPR119, IAPP, GLP1R CES2 2403/4885CES1 549/4885HDAC3 3456/4885

“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.