SCHEMBL1178596

SCHEMBL1178596

O=C(Nc1cccc(CC2(C(=O)O)CC2)c1)C(c1ccc(Cn2cccc(C(F)(F)F)c2=O)cc1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.43
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
HTR1E P28566 2/20 0.41
KMT2A Q03164 2/20 0.41
S1PR3 Q99500 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGER3 P43115 1/20 0.40
ACKR3 P25106 3/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
HTT P42858 1/20 0.39
CNR2 P34972 4/20 0.38

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
SCHEMBL7602752 0.95 PTGES (0.42) PTGESMAPTLMNAMEN1HTR1E
SCHEMBL1178323 0.91 PTGER3 (0.39) PTGESMAPTLMNAMEN1HTR1E
SCHEMBL7602898 0.90 PTGER3 (0.38) PTGESMAPTLMNAMEN1HTR1E
SCHEMBL1178138 0.89 PTGES (0.46) PTGESMAPTLMNAMEN1HTR1E
Bicarbonate SCHEMBL3703539 0.88 PTGES (0.45) PTGESMAPTLMNAMEN1HTR1E
SCHEMBL1178537 0.87 PTGES (0.42) PTGESMAPTLMNAMEN1HTR1E
SCHEMBL3699525 0.85 CYP1A2 (0.51) PTGESMAPTLMNAMEN1HTR1E
SCHEMBL3693252 0.85 CYP1A2 (0.51) PTGESMAPTLMNAMEN1HTR1E
SCHEMBL10006301 0.83 HTR1E (0.50) PTGESMAPTLMNAMEN1HTR1E
SCHEMBL10006483 0.83 HTR1E (0.50) PTGESMAPTLMNAMEN1HTR1E

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 PTGES 224/4885MAPT 4791/4885LMNA 1324/4885

“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.