SCHEMBL1177873

SCHEMBL1177873

CC(C)C(C(=O)O)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.38
MAOB P27338 2/20 0.37
PGR P06401 1/20 0.36
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 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
SCHEMBL517151 0.91 KMT2A (0.37) KMT2ABACE1ALDH1A1GAATHRB
SCHEMBL7601875 0.91 KMT2A (0.38) KMT2ABACE1ALDH1A1GAATHRB
SCHEMBL517440 0.89 KMT2A (0.36) KMT2ABACE1ALDH1A1GAATHRB
SCHEMBL3709062 0.89 KMT2A (0.36) KMT2ABACE1ALDH1A1GAATHRB
SCHEMBL3701817 0.88 KMT2A (0.35) KMT2ABACE1ALDH1A1GAATHRB
SCHEMBL3691213 0.87 MAOB (0.35) KMT2ABACE1ALDH1A1GAATHRB
SCHEMBL3695678 0.87 KMT2A (0.43) KMT2ABACE1ALDH1A1GAATHRB
SCHEMBL1069711 0.87 KMT2A (0.37) KMT2ABACE1ALDH1A1GAATHRB
SCHEMBL1178264 0.85 KMT2A (0.35) KMT2AALDH1A1GAATHRBMEN1
SCHEMBL7603996 0.84 KMT2A (0.36) KMT2AALDH1A1GAATHRBMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 KMT2A 2766/4885BACE1 3975/4885ALDH1A1 379/4885

“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.