SCHEMBL1178693

SCHEMBL1178693

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.33
PARP1 P09874 1/20 0.33
PTGES O14684 1/20 0.33
ITGB3 P05106 9/20 0.32
ITGA2B P08514 9/20 0.32
P2RY12 Q9H244 1/20 0.32
ACKR3 P25106 2/20 0.32
RAF1 P04049 1/20 0.32
USP1 O94782 1/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
MCTS1 Q9ULC4 1/20 0.31

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
SCHEMBL1178300 0.94 PTPN1 (0.36) MAOBPARP1PTGESITGB3ITGA2B
SCHEMBL1081126 0.92 PTGES (0.40) MAOBPARP1PTGESITGB3ITGA2B
SCHEMBL1178374 0.90 MAOB (0.32) MAOB
SCHEMBL1178399 0.88 MAOB (0.33) MAOBPARP1ITGB3ITGA2BACKR3
SCHEMBL1178359 0.87 PTGES (0.39) PTGES
SCHEMBL1177863 0.87 PTGES (0.33) MAOBPTGES
SCHEMBL1063556 0.86 MAOB (0.39) MAOBITGB3ITGA2B
SCHEMBL3693615 0.86 ITGB3 (0.36) MAOBPARP1ITGB3ITGA2BACKR3
SCHEMBL3698389 0.86 ITGB3 (0.35) MAOBPARP1ITGB3ITGA2BACKR3
SCHEMBL1179010 0.86 MAOB (0.35) MAOBPARP1ITGB3ITGA2BACKR3

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 3 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

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 MAOB 147/4885PARP1 1838/4885PTGES 224/4885

“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.