SCHEMBL1178056

SCHEMBL1178056

COC(=O)CCc1cccc(NC(=O)C(c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCC(F)(F)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.42
C3AR1 Q16581 2/20 0.36
MAOB P27338 2/20 0.34
ACKR3 P25106 5/20 0.33
DRD2 P14416 1/20 0.33
IDH1 O75874 3/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PTPN1 P18031 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32

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
SCHEMBL1178170 0.94 PTGES (0.48) PTGESC3AR1MAOB
SCHEMBL3695079 0.89 PTGES (0.37) PTGESC3AR1MAOBACKR3CHRM2
Bicarbonate SCHEMBL1080950 0.89 PTGES (0.38) PTGESC3AR1MAOBACKR3CHRM2
SCHEMBL12872074 0.88 PTGES (0.43) PTGESC3AR1DRD2
SCHEMBL1080947 0.88 PTGES (0.38) PTGESC3AR1MAOBACKR3DRD2
SCHEMBL1178655 0.86 PTGES (0.34) PTGESC3AR1MAOBACKR3DRD2
SCHEMBL1079858 0.84 PTGES (0.50) PTGESITGB3ITGA2B
SCHEMBL12871669 0.83 PTGES (0.46) PTGESMAOBACKR3
SCHEMBL1079129 0.83 PTGES (0.60) PTGES
SCHEMBL1178300 0.83 PTPN1 (0.36) PTGESMAOBACKR3PTPN1ITGB3

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 4 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
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
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 224/4885C3AR1 1349/4885MAOB 147/4885

“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.