SCHEMBL248323

SCHEMBL248323

CC(C)(C)C(=O)OCN1C(=O)C(C)(C)c2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ANPEP P15144 3/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 6/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL12072638 0.85 NPSR1 (0.36) KMT2AALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL248112 0.83 ALDH1A1 (0.45) KMT2AALDH1A1PKMSMN1; SMN2ANPEP
SCHEMBL247762 0.77 ALDH1A1 (0.46) KMT2AALDH1A1PKMSMN1; SMN2ANPEP
SCHEMBL26640052 0.77 ANPEP (0.49) KMT2AALDH1A1PKMSMN1; SMN2ANPEP
SCHEMBL26756233 0.77 CUL4A (0.55) KMT2AALDH1A1PKMSMN1; SMN2ANPEP
SCHEMBL30642207 0.77 ANPEP (0.49) KMT2AALDH1A1PKMSMN1; SMN2ANPEP
SCHEMBL30642153 0.76 ALDH1A1 (0.61) KMT2AALDH1A1PKMSMN1; SMN2ANPEP
SCHEMBL26640417 0.76 ALDH1A1 (0.61) KMT2AALDH1A1PKMSMN1; SMN2ANPEP
SCHEMBL7836673 0.75 KMT2A (0.49) KMT2AALDH1A1PKMSMN1; SMN2ANPEP
SCHEMBL10078248 0.71 FFAR1 (0.38) KMT2AALDH1A1PKMSMN1; SMN2ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582667-B1 HETEROCYCLIC SUBSTITUTED METHOXYPHENYL DERIVATIVES WITH OXOGROUP, METHOD FOR PRODUCING SAME AND USE AS GPR40 RECEPTOR MODULATORS SANOFI SA (FR) 2014-03-19 EP disclosed
EP-2582667-B1 HETEROCYCLIC SUBSTITUTED METHOXYPHENYL DERIVATIVES WITH OXOGROUP, METHOD FOR PRODUCING SAME AND USE AS GPR40 RECEPTOR MODULATORS SANOFI SA (FR) 2014-03-19 EP disclosed
US-8530413-B2 Heterocyclically substituted methoxyphenyl derivatives with an oxo group, processes for preparation thereof and use thereof as medicaments SANOFI (FR) 2013-09-10 US disclosed
US-8530413-B2 Heterocyclically substituted methoxyphenyl derivatives with an oxo group, processes for preparation thereof and use thereof as medicaments SANOFI (FR) 2013-09-10 US disclosed
US-8530413-B2 Heterocyclically substituted methoxyphenyl derivatives with an oxo group, processes for preparation thereof and use thereof as medicaments SANOFI (FR) 2013-09-10 US disclosed
EP-2582667-A1 HETEROCYCLIC SUBSTITUTED METHOXYPHENYL DERIVATIVES HAVING AN OXO GROUP, METHOD FOR PRODUCING SAME, AND USE THEREOF AS GPR40 RECEPTOR MODULATORS SANOFI (FR) 2013-04-24 EP disclosed
US-20120004165-A1 HETEROCYCLICALLY SUBSTITUTED METHOXYPHENYL DERIVATIVES WITH AN OXO GROUP, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SANOFI (FR) 2012-01-05 US disclosed
US-20120004165-A1 HETEROCYCLICALLY SUBSTITUTED METHOXYPHENYL DERIVATIVES WITH AN OXO GROUP, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SANOFI (FR) 2012-01-05 US disclosed
US-20120004165-A1 HETEROCYCLICALLY SUBSTITUTED METHOXYPHENYL DERIVATIVES WITH AN OXO GROUP, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SANOFI (FR) 2012-01-05 US disclosed
WO-2011161030-A1 HETEROCYCLIC SUBSTITUTED METHOXYPHENYL DERIVATIVES HAVING AN OXO GROUP, METHOD FOR PRODUCING SAME, AND USE THEREOF AS GPR40 RECEPTOR MODULATORS SANOFI (FR) 2011-12-29 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-20120004165-A1 HETEROCYCLICALLY SUBSTITUTED METHOXYPHENYL DERIVATIVES WITH AN OXO GROUP, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS CYP4B1, CYP4F3, CYP11B1 KMT2A 4179/4885ALDH1A1 1410/4885PKM 517/4885

“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.