SCHEMBL1178468

SCHEMBL1178468

CC(CC(F)(F)F)C(C(=O)Nc1cccc(CC2(C(=O)O)CC2)c1)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
MAOB P27338 2/20 0.35
ACKR3 P25106 3/20 0.33
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
NR3C2 P08235 2/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
RAF1 P04049 2/20 0.31
GPR142 Q7Z601 1/20 0.31
BRAF P15056 1/20 0.31
PIK3CA P42336 1/20 0.31
WNT3A P56704 1/20 0.30

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
SCHEMBL1179010 0.93 MAOB (0.35) PARP1MAOBACKR3MAPTTHRB
SCHEMBL1178473 0.93 PARP1 (0.34) PARP1MAOBACKR3NR3C2ITGB3
SCHEMBL1178342 0.90 PARP1 (0.35) PARP1MAOBACKR3MAPTTHRB
Bicarbonate SCHEMBL3694545 0.88 PARP1 (0.37) PARP1MAOBACKR3MAPTTHRB
SCHEMBL1178399 0.86 MAOB (0.33) PARP1MAOBACKR3MAPTTHRB
SCHEMBL1178175 0.83 MAOB (0.33) MAOBWNT3A
SCHEMBL1178854 0.83 PARP1 (0.33) PARP1MAOBITGB3ITGA2B
SCHEMBL1178561 0.82 PTGES (0.46) MAOBACKR3MAPT
SCHEMBL1081126 0.82 PTGES (0.40) PARP1MAOBACKR3ITGB3ITGA2B
SCHEMBL3693615 0.82 ITGB3 (0.36) PARP1MAOBACKR3MAPTTHRB

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 PARP1 1838/4885MAOB 147/4885ACKR3 1783/4885

“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.