SCHEMBL1178644

SCHEMBL1178644

CCOC(=O)/C=C/c1cccc(NC(=O)C(c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.40
MAPT P10636 4/20 0.37
LMNA P02545 4/20 0.37
HTR1E P28566 3/20 0.37
S1PR3 Q99500 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
C3AR1 Q16581 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PTGS2 P35354 5/20 0.36
BTK Q06187 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3703317 0.93 HTR1E (0.42) PTGESMAPTLMNAHTR1ES1PR3
SCHEMBL1178365 0.91 PTGES (0.43) PTGESMAPTLMNAHTR1ES1PR3
SCHEMBL1178367 0.91 PTGES (0.43) PTGESMAPTLMNAHTR1ES1PR3
SCHEMBL1178866 0.88 MAPT (0.35) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL1079858 0.87 PTGES (0.50) PTGESMAPTLMNAHTR1ES1PR3
SCHEMBL1178647 0.86 PTGES (0.42) PTGESMAPTLMNAHTR1ES1PR3
SCHEMBL1178602 0.85 PTGES (0.47) PTGESMAPTLMNAHTR1ES1PR3
SCHEMBL1178223 0.84 LMNA (0.43) PTGESMAPTLMNAHTR1ES1PR3
SCHEMBL1178221 0.84 LMNA (0.43) PTGESMAPTLMNAHTR1ES1PR3
SCHEMBL12872122 0.83 PTGES (0.45) PTGESMAPTLMNAHTR1ES1PR3

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 6 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
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

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.