SCHEMBL2269443

SCHEMBL2269443

COC(=O)CCNC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC4 P56524 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
NCOR2 Q9Y618 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SPHK2 Q9NRA0 2/20 0.58
SPHK1 Q9NYA1 1/20 0.58

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
SCHEMBL2655192 0.89 NPC1 (0.60) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL834204 0.86 SMN1; SMN2 (0.61) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL13380778 0.86 HPGD (0.65) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL10289219 0.85 HDAC3 (0.78) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL6716502 0.83 MEN1 (0.79) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL7296744 0.83 SPHK2 (0.80) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL1765461 0.83 GCGR (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL5012300 0.83 PRSS1 (0.77) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL748869 0.82 SPHK2 (0.81) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL7287723 0.82 NPC1 (0.67) HDAC3HDAC1HDAC2HDAC4HDAC7

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
EP-1758859-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2013-07-17 EP disclosed
US-7989457-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; (R,S)-Methanesulfonic acid 2-(3-methyl-4'-trifluoromethyl-biphenyl-4-yl)-propyl ester ELI LILLY AND COMPANY (US) 2011-08-02 US disclosed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 US disclosed
EP-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 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-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR HDAC3 2153/4885HDAC1 4110/4885HDAC2 3643/4885

“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.