SCHEMBL4299508

SCHEMBL4299508

COc1cc(OC)cc(C(O)=C2C(=O)N(C(C)=O)c3ccc(C(C)=O)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CES1 P23141 2/20 0.39
S100A4 P26447 1/20 0.36
RXRA P19793 1/20 0.36
SYK P43405 2/20 0.36
P2RX3 P56373 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
PDE5A O76074 1/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CES2 O00748 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
SCHEMBL4299504 1.00 AKR1C3 (0.39) AKR1C3AKR1C2NR1H2NR1H3MEN1
SCHEMBL4310215 0.92 P2RX3 (0.43) AKR1C3AKR1C2NR1H2NR1H3L3MBTL1
SCHEMBL4310212 0.92 P2RX3 (0.43) AKR1C3AKR1C2NR1H2NR1H3L3MBTL1
SCHEMBL4301488 0.90 NPC1 (0.44) AKR1C3AKR1C2NR1H2NR1H3MEN1
SCHEMBL4301491 0.90 NPC1 (0.44) AKR1C3AKR1C2NR1H2NR1H3MEN1
SCHEMBL4299297 0.87 MEN1 (0.41) AKR1C3AKR1C2NR1H2NR1H3MEN1
SCHEMBL4299289 0.87 MEN1 (0.41) AKR1C3AKR1C2NR1H2NR1H3MEN1
SCHEMBL4299584 0.85 MAPT (0.47) NR1H2NR1H3MEN1KMT2AMAPK1
SCHEMBL4299579 0.85 MAPT (0.47) NR1H2NR1H3MEN1KMT2AMAPK1
SCHEMBL4303060 0.84 CASP3 (0.46) NR1H2NR1H3MEN1KMT2AMAPK1

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 1416/4885NR1H2 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.