Sugi Predict

Sugi Predict / Compounds / SCHEMBL2295546

SCHEMBL2295546

SCHEMBL2295546

CC(C)C[C@H](N)OBO.O=C=NC(Cc1ccc2ncccc2c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ FCER2 P06734 1/20 0.38
▸ CCR1 P32246 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HDAC3 O15379 2/20 0.34
▸ ITGB2 P05107 2/20 0.34
▸ ICAM1 P05362 2/20 0.34
▸ ITGAL P20701 2/20 0.34
▸ MET P08581 3/20 0.34
▸ P2RX3 P56373 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDE6D O43924 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL5524933 0.86 TAS1R3 (0.42) TAS1R3TAS1R1ACACBFCER2CCR1
Leucine SCHEMBL3832523 0.85 ACACB (0.40) TAS1R3TAS1R1ACACBFCER2CCR1
SCHEMBL16552559 0.78 LTA4H (0.44) —
SCHEMBL5520908 0.78 PTPN1 (0.46) TAS1R3TAS1R1FCER2
SCHEMBL3882884 0.77 CTSS (0.41) TAS1R3TAS1R1SMN1; SMN2NPC1
SCHEMBL29679351 0.70 NPC1 (0.43) ACACBFCER2AKR1C3AKR1C2ALDH1A1
SCHEMBL2297609 0.69 PKM (0.55) ACACBFCER2ALDH1A1HDAC3ALOX15
SCHEMBL21690018 0.69 PKM (0.55) ACACBFCER2ALDH1A1HDAC3ALOX15
SCHEMBL31711179 0.69 PKM (0.55) ACACBFCER2ALDH1A1HDAC3ALOX15
SCHEMBL5783367 0.69 PKM (0.55) ACACBFCER2ALDH1A1HDAC3ALOX15

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 23 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-8378099-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACUETICALS, INC. (US) 2013-02-19 — — US disclosed
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-12-15 — — 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-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-20070282100-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-06 — — US disclosed
EP-1627880-A1 Boronic ester and acid compounds, synthesis and uses Millennium Pharmaceuticals, Inc. (US) 2006-02-22 — — EP 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-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
US-5780454-A Boronic ester and acid compounds PROSCRIPT, INC. (US) 1998-07-14 — — 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 TAS1R3 4301/4885TAS1R1 4268/4885ACACB 1329/4885
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B TAS1R3 4301/4885TAS1R1 4268/4885ACACB 1329/4885
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B TAS1R3 4301/4885TAS1R1 4268/4885ACACB 1329/4885
US-20020173488-A1 Boronic Ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B TAS1R3 4177/4885TAS1R1 4114/4885ACACB 1721/4885
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B TAS1R3 4301/4885TAS1R1 4268/4885ACACB 1329/4885
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B TAS1R3 4301/4885TAS1R1 4268/4885ACACB 1329/4885

“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.