SCHEMBL4307397

SCHEMBL4307397

CC(=O)c1ccc2c(c1)C(=C(O)c1ccc(Cl)cc1)C(=O)N2C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
CES1 P23141 3/20 0.41
S100A4 P26447 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CES2 O00748 2/20 0.37
MDM2 Q00987 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NLRP1 Q9C000 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MITF O75030 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL4307393 1.00 NR1H2 (0.41) NR1H2NR1H3CES1S100A4AKR1C3
SCHEMBL4303363 0.91 NR1H2 (0.41) NR1H2NR1H3CES1S100A4AKR1C3
SCHEMBL4303365 0.91 NR1H2 (0.41) NR1H2NR1H3CES1S100A4AKR1C3
SCHEMBL4298555 0.88 NR1H2 (0.40) NR1H2NR1H3CES1S100A4MEN1
SCHEMBL4298552 0.88 NR1H2 (0.40) NR1H2NR1H3CES1S100A4MEN1
SCHEMBL4301063 0.87 NR1H2 (0.41) NR1H2NR1H3CES1S100A4AKR1C3
SCHEMBL4306189 0.87 NR1H2 (0.41) NR1H2NR1H3CES1S100A4CES2
SCHEMBL4306190 0.87 NR1H2 (0.41) NR1H2NR1H3CES1S100A4CES2
SCHEMBL4301061 0.87 NR1H2 (0.41) NR1H2NR1H3CES1S100A4AKR1C3
SCHEMBL8284328 0.86 NR1H2 (0.41) NR1H2NR1H3CES1S100A4MEN1

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.