SCHEMBL1177882

SCHEMBL1177882

COC(=O)c1ccc(CNC(=O)C(c2ccc(CN3C(=O)O[C@@H](c4ccccc4)[C@H]3C)cc2)C2CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BDKRB2 P30411 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
KDM1A O60341 2/20 0.38
CHRM4 P08173 1/20 0.38
MAOB P27338 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7602631 1.00 MEN1 (0.42) MEN1KMT2ABDKRB2PTGDR2KDM1A
SCHEMBL1177736 1.00 MEN1 (0.42) MEN1KMT2ABDKRB2PTGDR2KDM1A
SCHEMBL1178809 0.93 BDKRB2 (0.42) MEN1KMT2ABDKRB2PTGDR2KDM1A
SCHEMBL1178251 0.93 BDKRB2 (0.42) MEN1KMT2ABDKRB2PTGDR2KDM1A
SCHEMBL7601926 0.92 BDKRB2 (0.40) MEN1KMT2ABDKRB2PTGDR2TP53
Bicarbonate SCHEMBL3700166 0.92 BDKRB2 (0.44) MEN1KMT2ABDKRB2PTGDR2TP53
Bicarbonate SCHEMBL3706241 0.92 BDKRB2 (0.44) MEN1KMT2ABDKRB2PTGDR2TP53
SCHEMBL3704972 0.86 BDKRB2 (0.38) BDKRB2PTGDR2TP53CYP1A2CYP3A4
SCHEMBL3690690 0.86 BDKRB2 (0.38) BDKRB2PTGDR2TP53CYP1A2CYP3A4
SCHEMBL3701189 0.82 PTGDR2 (0.45) PTGDR2

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 MEN1 3585/4885KMT2A 2766/4885BDKRB2 620/4885

“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.