SCHEMBL4306346

SCHEMBL4306346

CC(=O)c1ccc2c(c1)/C(=C(/O)c1ccc(C(F)(F)F)cc1)C(=O)N2C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
FSHR P23945 1/20 0.38
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
MAOB P27338 2/20 0.36
NOTUM Q6P988 1/20 0.36
S100A4 P26447 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
SCHEMBL4306349 1.00 AKR1C3 (0.41) AKR1C3AKR1C2NR1H2NR1H3CES1
SCHEMBL4306190 0.86 NR1H2 (0.41) NR1H2NR1H3CES1CES2MAPT
SCHEMBL4306189 0.86 NR1H2 (0.41) NR1H2NR1H3CES1CES2MAPT
SCHEMBL4304217 0.85 NR1H2 (0.41) NR1H2NR1H3CES1MAPTS100A4
SCHEMBL8284328 0.85 NR1H2 (0.41) NR1H2NR1H3CES1MAPTS100A4
SCHEMBL4304213 0.85 NR1H2 (0.41) NR1H2NR1H3CES1MAPTS100A4
SCHEMBL4303307 0.85 AKR1C3 (0.39) AKR1C3AKR1C2NR1H2NR1H3CES1
SCHEMBL4303301 0.85 AKR1C3 (0.39) AKR1C3AKR1C2NR1H2NR1H3CES1
SCHEMBL8012118 0.85 SNCA (0.42) NR1H2NR1H3MAPTSLC6A9SLC6A5
SCHEMBL8012121 0.85 SNCA (0.42) NR1H2NR1H3MAPTSLC6A9SLC6A5

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 15 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
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
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-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-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-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-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 AKR1C3 1336/4885AKR1C2 1416/4885NR1H2 209/4885
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK1G3 AKR1C3 1475/4885AKR1C2 1589/4885NR1H2 235/4885
US-20050209302-A1 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3A, GSK3B, PYGL AKR1C3 1276/4885AKR1C2 1291/4885NR1H2 181/4885

“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.