SCHEMBL4299736

SCHEMBL4299736

CCN(CC)C(C)Oc1cccc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
AKR1C3 P42330 1/20 0.50
FOLH1 Q04609 1/20 0.48
NR4A2 P43354 4/20 0.48
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
RAB9A P51151 1/20 0.47
NR1H4 Q96RI1 4/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
PLA2G4B P0C869 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44

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
SCHEMBL9706148 0.84 KDM4E (0.39) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL4300358 0.83 KMT2A (0.61) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL6623075 0.83 AKR1C3 (0.54) KMT2AAKR1C3FOLH1NR4A2NPC1
SCHEMBL931250 0.80 KMT2A (0.59) KMT2AAKR1C3FOLH1NR4A2NPC1
SCHEMBL30184304 0.79 RXRA (0.68) KMT2AAKR1C3FOLH1NR4A2NPC1
SCHEMBL2878702 0.79 AKR1C3 (0.61) KMT2AAKR1C3FOLH1NR4A2NPC1
SCHEMBL592781 0.79 RXRA (0.68) KMT2AAKR1C3FOLH1NR4A2NPC1
SCHEMBL10429856 0.78 ADRA2A (0.43) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL5410728 0.78 ALDH1A1 (0.47) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL930874 0.78 KMT2A (0.61) KMT2AAKR1C3FOLH1NR4A2NPC1

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
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
EP-1727798-A1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-12-06 EP disclosed
EP-1727812-A1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS Boehringer Ingelheim International GmbH (DE) 2006-12-06 EP disclosed
EP-1727799-A1 NOVEL ALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS Boehringer Ingelheim International GmbH (DE) 2006-12-06 EP 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
WO-2005087727-A1 NOVEL ALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
WO-2005087761-A1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
WO-2005087726-A1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO 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 KMT2A 1915/4885AKR1C3 1336/4885FOLH1 4533/4885
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK1G3 KMT2A 3201/4885AKR1C3 1475/4885FOLH1 3884/4885
US-20050209302-A1 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3A, GSK3B, PYGL KMT2A 2142/4885AKR1C3 1276/4885FOLH1 4673/4885

“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.