SCHEMBL4303307

SCHEMBL4303307

COC(=C1C(=O)N(C(C)=O)c2ccc(C(C)=O)cc21)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
MAPK14 Q16539 2/20 0.39
MAOB P27338 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
CASP3 P42574 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
NOTUM Q6P988 1/20 0.34
FSHR P23945 1/20 0.34
CES1 P23141 2/20 0.34
PLD2 O14939 1/20 0.34
PLD1 Q13393 1/20 0.34
CES2 O00748 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4303301 1.00 AKR1C3 (0.39) AKR1C3AKR1C2MAPK14MAOBTP53
SCHEMBL4305524 0.88 L3MBTL1 (0.38) AKR1C3AKR1C2MAPK14MAOBMAPT
SCHEMBL4305522 0.88 L3MBTL1 (0.38) AKR1C3AKR1C2MAPK14MAOBMAPT
SCHEMBL4299686 0.87 KMT2A (0.38) MAPK14MAPTCASP3NR1H2NR1H3
SCHEMBL4299682 0.87 KMT2A (0.38) MAPK14MAPTCASP3NR1H2NR1H3
SCHEMBL4301465 0.86 CASP3 (0.46) MAPK14MAPTCASP3NR1H2NR1H3
SCHEMBL4301461 0.86 CASP3 (0.46) MAPK14MAPTCASP3NR1H2NR1H3
SCHEMBL4301085 0.85 MAPK14 (0.37) AKR1C3AKR1C2MAPK14MAOBTP53
SCHEMBL4304859 0.85 ALDH1A1 (0.37) AKR1C3AKR1C2MAOBMAPTCASP3
SCHEMBL4310374 0.85 MET (0.40) AKR1C3AKR1C2TP53CASP3NR1H2

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 AKR1C3 1336/4885AKR1C2 1416/4885MAPK14 405/4885
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK1G3 AKR1C3 1475/4885AKR1C2 1589/4885MAPK14 601/4885
US-20050209302-A1 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3A, GSK3B, PYGL AKR1C3 1276/4885AKR1C2 1291/4885MAPK14 502/4885

“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.