SCHEMBL4307494

SCHEMBL4307494

CC(=O)c1ccc2c(c1)C(=C(O)c1ccccc1Cl)C(=O)N2C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
CES1 P23141 1/20 0.42
S100A4 P26447 1/20 0.39
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
MAPK14 Q16539 1/20 0.36
APEX1 P27695 1/20 0.36
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL4307490 1.00 NR1H2 (0.42) NR1H2NR1H3CES1S100A4KMT2A
SCHEMBL4298721 0.86 NR1H2 (0.39) NR1H2NR1H3CES1S100A4KMT2A
SCHEMBL4298717 0.86 NR1H2 (0.39) NR1H2NR1H3CES1S100A4KMT2A
SCHEMBL4298552 0.84 NR1H2 (0.40) NR1H2NR1H3CES1S100A4KMT2A
SCHEMBL4298555 0.84 NR1H2 (0.40) NR1H2NR1H3CES1S100A4KMT2A
SCHEMBL4307397 0.84 NR1H2 (0.41) NR1H2NR1H3CES1S100A4KMT2A
SCHEMBL4307393 0.84 NR1H2 (0.41) NR1H2NR1H3CES1S100A4KMT2A
SCHEMBL4301090 0.84 MEN1 (0.44) NR1H2NR1H3CES1S100A4KMT2A
SCHEMBL4301095 0.84 MEN1 (0.44) NR1H2NR1H3CES1S100A4KMT2A
SCHEMBL4303363 0.83 NR1H2 (0.41) NR1H2NR1H3CES1S100A4KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560480-B2 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-14 US disclosed
EP-1727799-B1 NOVEL ALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INT (DE) 2009-01-07 EP disclosed
EP-1727812-B1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INT (DE) 2008-12-31 EP disclosed
EP-1727798-B1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-10-29 EP disclosed
US-7262206-B2 Cycloalkyl—containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-28 US disclosed
US-7176231-B2 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-13 US disclosed
US-20050234120-A1 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US disclosed
US-20050209302-A1 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 US disclosed
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 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 (3 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-20050234120-A1 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK2A3 NR1H2 209/4885NR1H3 184/4885CES1 707/4885
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK1G3 NR1H2 235/4885NR1H3 217/4885CES1 944/4885
US-20050209302-A1 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3A, GSK3B, PYGL NR1H2 181/4885NR1H3 153/4885CES1 623/4885

“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.