SCHEMBL490430

SCHEMBL490430

CCOC(=O)CC(=O)c1ccc(Br)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.54
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
POLB P06746 4/20 0.49
RXFP1 Q9HBX9 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PPARG P37231 2/20 0.49
NCOA2 Q15596 2/20 0.49
ESR1 P03372 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX12 P18054 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
DAO P14920 1/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 3/20 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
SCHEMBL3347072 0.85 GSK3B (0.59) GSK3BPOLBRXFP1ALDH1A1HPGD
SCHEMBL9879027 0.83 GSK3B (0.58) GSK3BPOLBRXFP1ALDH1A1HPGD
SCHEMBL14157094 0.83 POLB (0.50) LMNAPOLBALDH1A1HPGDMEN1
SCHEMBL5206235 0.83 GSK3B (0.50) GSK3BLMNATSHRPOLBRXFP1
SCHEMBL9879032 0.82 GSK3B (0.56) GSK3BPOLBRXFP1ALDH1A1HPGD
SCHEMBL5749082 0.81 ALDH1A1 (0.55) GSK3BPOLBALDH1A1HPGDNPSR1
SCHEMBL7433029 0.81 HPGD (0.49) LMNATSHRPOLBALDH1A1HPGD
SCHEMBL64687 0.80 HDAC3 (0.58) GSK3BLMNATSHRPOLBRXFP1
SCHEMBL3958438 0.78 HDAC3 (0.57) GSK3BLMNATSHRPOLBRXFP1
SCHEMBL14624168 0.78 GSK3B (0.63) GSK3BPOLBRXFP1ALDH1A1HPGD

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822945-B1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B V (NL) 2019-06-19 EP disclosed
US-10071987-B2 Aminomethylene pyrazolones with therapeutic activity COMPOUND HANDLING B.V. (NL) 2018-09-11 US disclosed
US-20180030035-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B.V. (NL) 2018-02-01 US disclosed
US-9790205-B2 Aminomethylene pyrazolones with therapeutic activity COMPOUND HANDLING B.V. (NL) 2017-10-17 US disclosed
EP-3220435-A1 ORGANIC SEMICONDUCTOR ELEMENT AND COMPOUND Fujifilm Corporation (JP) 2017-09-20 EP disclosed
US-20170240531-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B.V. (NL) 2017-08-24 US disclosed
US-20170229655-A1 ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, COMPOUND, COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, AND ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20170229655-A1 ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, COMPOUND, COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, AND ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-9676764-B2 Aminomethylene pyrazolones with therapeutic activity COMPOUND HANDLING B.V. (NL) 2017-06-13 US disclosed
US-20160326152-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B.V. (NL) 2016-11-10 US disclosed
US-8106046-B2 Cyclopentathiophene modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-31 US disclosed
US-8106046-B2 Cyclopentathiophene modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-31 US disclosed
US-8106046-B2 Cyclopentathiophene modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-31 US disclosed
CN-102149710-A Cyclopentathiophene modulators of the glucocorticoid receptor, AP-1, and/or NF-Kappa B activity and use thereof BRISTOL MYERS SQUIBB CO 2011-08-10 CN disclosed
EP-2334671-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPA B ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2011-06-22 EP disclosed
US-20110105495-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-20110105495-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-20110105495-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
WO-2009158380-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPA B ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO disclosed
WO-2009158380-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPA B ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO 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 (5 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-20180030035-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 GSK3B 3600/4885LMNA 1368/4885TSHR 194/4885
US-20110105495-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFKB1, NFRKB GSK3B 973/4885LMNA 4657/4885TSHR 795/4885
US-10071987-B2 Aminomethylene pyrazolones with therapeutic activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 GSK3B 3600/4885LMNA 1368/4885TSHR 194/4885
US-20170240531-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 GSK3B 3608/4885LMNA 1320/4885TSHR 206/4885
US-20160326152-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 GSK3B 3608/4885LMNA 1320/4885TSHR 206/4885

“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.