SCHEMBL2299083

SCHEMBL2299083

CC(C)C1COC(=O)N1C(=O)C(CC(=O)OCc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 2/20 0.47
IDH1 O75874 4/20 0.40
CASP1 P29466 2/20 0.39
PSMB5 P28074 2/20 0.38
SLC15A1 P46059 2/20 0.37
MC4R P32245 1/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TACR1 P25103 1/20 0.35
HTR2A P28223 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL2299086 1.00 IL6ST (0.47) IL6STIDH1CASP1PSMB5SLC15A1
SCHEMBL2299084 1.00 IL6ST (0.47) IL6STIDH1CASP1PSMB5SLC15A1
SCHEMBL7277218 0.88 IL6ST (0.53) IL6STIDH1SLC15A1CYP3A4CYP1A2
SCHEMBL7277223 0.88 IL6ST (0.53) IL6STIDH1SLC15A1CYP3A4CYP1A2
SCHEMBL7277227 0.88 IL6ST (0.53) IL6STIDH1SLC15A1CYP3A4CYP1A2
SCHEMBL7322072 0.87 IL6ST (0.48) IL6STIDH1CYP3A4HTR2AKDM4E
SCHEMBL7273333 0.87 CASP1 (0.40) CASP1PSMB5SLC15A1MC4RCYP3A4
SCHEMBL7273339 0.87 CASP1 (0.40) CASP1PSMB5SLC15A1MC4RCYP3A4
SCHEMBL7321394 0.86 IL6ST (0.42) IL6STIDH1CYP3A4ALDH1A1CYP1A2
SCHEMBL7272206 0.84 IL6ST (0.48) IL6STIDH1HSD17B10TACR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-12 US disclosed
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-8003791-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
EP-0788360-B3 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2009-08-12 EP disclosed
US-7531526-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
EP-1997823-A1 Boronic ester and acid compounds, synthesis and uses Millennium Pharmaceuticals, Inc. (US) 2008-12-03 EP disclosed
EP-1627880-B1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARM INC (US) 2008-10-15 EP disclosed
US-20080132678-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-06-05 US disclosed
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-06 US disclosed
US-6617317-B1 Reducing the rate of degradation of proteins in an animal MILLENNIUM PHARMACEUTICALS, INC. 2003-09-09 US disclosed
EP-0788360-B1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2003-05-28 EP disclosed
EP-1312609-A1 Boronic ester and acid compounds, synthesis and uses Millennium Pharmaceuticals, Inc. (US) 2003-05-21 EP disclosed
US-6548668-B2 Stabilizer for proteins MILLENNIUM PHARMACEUTICALS, INC. 2003-04-15 US disclosed
US-20020173488-A1 Boronic Ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-11-21 US disclosed
US-6465433-B1 SUCH AS N-(2-PYRIDINE)CARBONYL-L-PHENYLALANINE-L-LEUCINE BORONIC ACID; PROTEASOME INHIBITORS; REDUCING RATE OF MUSCLE PROTEIN DEGRADATION MILLENNIUM PHARMACEUTICALS, INC. 2002-10-15 US disclosed
US-6297217-B1 TREATMENT OF CANCER WITH PROTEASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2001-10-02 US disclosed
US-6083903-A REDUCE RATE OF DEGRADATION OF PROTEINS IN ANIMAL LEUKOSITE, INC. (US) 2000-07-04 US disclosed
US-6066730-A Boronic ester and acid compounds, synthesis and uses PROSCRIPT, INC. 2000-05-23 US disclosed
WO-1996013266-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1996-05-09 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 (6 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-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B IL6ST 1164/4885IDH1 2050/4885CASP1 3498/4885
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B IL6ST 1164/4885IDH1 2050/4885CASP1 3498/4885
US-20020173488-A1 Boronic Ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B IL6ST 809/4885IDH1 2037/4885CASP1 3443/4885
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B IL6ST 1164/4885IDH1 2050/4885CASP1 3498/4885
US-20080132678-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B IL6ST 1164/4885IDH1 2050/4885CASP1 3498/4885
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B IL6ST 1164/4885IDH1 2050/4885CASP1 3498/4885

“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.