SCHEMBL1177979

SCHEMBL1177979

CC(C)(C)C1CC1(Cc1cccc(NC(=O)[C@H](c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCCC2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.43
HTR1E P28566 3/20 0.38
S1PR3 Q99500 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.36
ACKR3 P25106 3/20 0.35
MAOB P27338 2/20 0.35
PTGS2 P35354 5/20 0.34

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
SCHEMBL1178202 0.88 PTGES (0.45) PTGESPTGS2
SCHEMBL1178561 0.88 PTGES (0.46) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1178961 0.87 PTGES (0.46) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1063429 0.87 PARP1 (0.34) MAPTACKR3MAOB
SCHEMBL1177904 0.86 PTGES (0.42) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL12872141 0.86 PTGES (0.50) PTGESHTR1ES1PR3MEN1LMNA
Bicarbonate SCHEMBL1080702 0.85 PTGES (0.48) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1177715 0.85 PTGES (0.44) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL12871669 0.85 PTGES (0.46) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1193786 0.85 PTGES (0.43) PTGESHTR1ES1PR3MEN1LMNA

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 2 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-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 224/4885HTR1E 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.