SCHEMBL1178161

SCHEMBL1178161

Cc1ccn(Cc2ccc(C(C(=O)Nc3cccc(CC4(C(=O)O)CC4)c3)C3CCCC3)cc2)c(=O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.44
HTR1E P28566 3/20 0.43
S1PR3 Q99500 3/20 0.43
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.40
SSTR1 P30872 1/20 0.40
SSTR4 P31391 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
ACKR3 P25106 9/20 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
SCHEMBL7601883 0.95 PTGES (0.42) PTGESHTR1ES1PR3LMNAMEN1
SCHEMBL7602660 0.92 PTGES (0.40) PTGESHTR1ES1PR3LMNAMEN1
SCHEMBL1178411 0.90 PTGES (0.39) PTGESHTR1ES1PR3LMNAMEN1
SCHEMBL1178537 0.88 PTGES (0.42) PTGESHTR1ES1PR3LMNAMEN1
Bicarbonate SCHEMBL3697753 0.88 PTGES (0.46) PTGESHTR1ES1PR3LMNAMEN1
SCHEMBL1178138 0.87 PTGES (0.46) PTGESHTR1ES1PR3LMNAMEN1
SCHEMBL10006288 0.85 HTR1E (0.59) PTGESHTR1ES1PR3LMNAMEN1
SCHEMBL3706401 0.85 PTGES (0.48) PTGESHTR1ES1PR3LMNAMEN1
SCHEMBL3697010 0.85 PTGES (0.48) PTGESHTR1ES1PR3LMNAMEN1
SCHEMBL1178080 0.83 PTGES (0.45) PTGESHTR1ES1PR3LMNAMEN1

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 224/4885HTR1E 4408/4885S1PR3 3654/4885

“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.