SCHEMBL3706401

SCHEMBL3706401

O=C(Nc1cccc(CC2(C(=O)O)CC2)c1)C(c1ccc(Cn2cc(Cl)ccc2=O)cc1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.48
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
HTR1E P28566 2/20 0.43
KMT2A Q03164 2/20 0.43
S1PR3 Q99500 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.41
ACKR3 P25106 13/20 0.41
MME P08473 1/20 0.40

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
SCHEMBL3697010 1.00 PTGES (0.48) PTGESMEN1LMNAHTR1EKMT2A
SCHEMBL1178777 0.90 PTGES (0.42) PTGESMEN1LMNAHTR1EKMT2A
SCHEMBL3699525 0.89 CYP1A2 (0.51) PTGESMEN1LMNAHTR1EKMT2A
SCHEMBL3693252 0.89 CYP1A2 (0.51) PTGESMEN1LMNAHTR1EKMT2A
SCHEMBL10006307 0.88 PTGES (0.56) PTGESMEN1LMNAHTR1EKMT2A
SCHEMBL10006296 0.88 PTGES (0.56) PTGESMEN1LMNAHTR1EKMT2A
Bicarbonate SCHEMBL3697013 0.88 PTGES (0.50) PTGESMEN1LMNAHTR1EKMT2A
Bicarbonate SCHEMBL3706404 0.88 PTGES (0.50) PTGESMEN1LMNAHTR1EKMT2A
SCHEMBL3706314 0.87 PTGES (0.64) PTGESMEN1LMNAHTR1EKMT2A
SCHEMBL1178778 0.86 PTGES (0.45) PTGESMEN1LMNAHTR1EKMT2A

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
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 224/4885MEN1 3585/4885LMNA 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.