SCHEMBL4583836

SCHEMBL4583836

CC(C)Nc1cc(Br)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.54
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
KCNK2 O95069 1/20 0.45
KCNK10 P57789 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GRIK1 P39086 2/20 0.43
APEX1 P27695 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
PLA2G1B P04054 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL29922306 0.87 ACLY (0.48) ACLYAKR1C3AKR1C2KCNK2KCNK10
SCHEMBL30633692 0.86 MAPK1 (0.42) ACLYAKR1C3AKR1C2L3MBTL1MEN1
SCHEMBL4585616 0.83 ABCG2 (0.49) KDM4EL3MBTL1KMT2AALDH1A1POLB
SCHEMBL30633733 0.82 HSP90AB1 (0.40) ACLYL3MBTL1ALDH1A1POLBMAPT
SCHEMBL22097623 0.81 HCAR3 (0.56) AKR1C3AKR1C2KDM4EADRB2ADRB1
SCHEMBL4152400 0.80 ACLY (0.54) ACLYAKR1C3AKR1C2KCNK2KCNK10
SCHEMBL25235960 0.79 KDM6B (0.56) ACLYAKR1C3AKR1C2KCNK2KCNK10
SCHEMBL4583979 0.79 ADRB1 (0.47) ACLYL3MBTL1ADRB1ADRB3ALDH1A1
SCHEMBL9942872 0.78 ACLY (0.55) ACLYAKR1C3AKR1C2KCNK2KCNK10
SCHEMBL15391711 0.78 EED (0.46) ACLYAKR1C3AKR1C2KDM4EGLA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760841-B1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-24 EP disclosed
US-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 US disclosed
EP-2573073-B1 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI SA (FR) 2014-10-22 EP disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 US disclosed
EP-2760841-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-06 EP disclosed
WO-2013045400-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-04-04 WO disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 US disclosed
EP-2573073-A1 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-27 EP disclosed
CN-100582088-C Aminoalcohol derivatives ASTELLAS PHARMA INC 2010-01-20 CN disclosed
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
CN-1906154-A Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2007-01-31 CN disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 ACLY 1606/4885AKR1C3 305/4885AKR1C2 613/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A ACLY 1635/4885AKR1C3 362/4885AKR1C2 693/4885
US-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 ACLY 399/4885AKR1C3 352/4885AKR1C2 316/4885

“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.