SCHEMBL3704735

SCHEMBL3704735

C[C@@H]([C@@H](C(=O)Nc1cccc(CC2(C(=O)O)CC2)c1)c1ccc(CN2Cc3ccccc3C2=O)cc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
LMNA P02545 3/20 0.39
BDKRB1 P46663 1/20 0.36

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
SCHEMBL3702660 1.00 THRB (0.40) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL13660768 1.00 THRB (0.40) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL7602101 0.95 MAPT (0.40) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL7606170 0.95 MAPT (0.40) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL12872085 0.91 THRB (0.39) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL12872084 0.91 THRB (0.39) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL12872081 0.91 THRB (0.39) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL12872206 0.89 IDH1 (0.35) THRBMAPTMEN1KMT2ALMNA
SCHEMBL12872208 0.89 IDH1 (0.35) THRBMAPTMEN1KMT2ALMNA
SCHEMBL1178525 0.89 IDH1 (0.35) THRBMAPTMEN1KMT2ALMNA

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 THRB 1366/4885MAPT 4791/4885MEN1 3585/4885

“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.