Sugi Predict

Sugi Predict / Compounds / SCHEMBL516556

SCHEMBL516556

SCHEMBL516556

C[C@@H](O)[C@@H](N)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.62
▸ ADRA2C P18825 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ ADRA2A P08913 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.58
▸ F2 P00734 1/20 0.48
▸ AOC3 Q16853 2/20 0.47
▸ CHRM2 P08172 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ RGS12 O14924 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALOX12 P18054 1/20 0.45

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
SCHEMBL2196928 1.00 DPP4 (0.62) DPP4ADRA2CKDM4ELMNAADRA2A
SCHEMBL1335056 1.00 DPP4 (0.62) DPP4ADRA2CKDM4ELMNAADRA2A
SCHEMBL8651376 1.00 DPP4 (0.62) DPP4ADRA2CKDM4ELMNAADRA2A
SCHEMBL12069803 1.00 DPP4 (0.62) DPP4ADRA2CKDM4ELMNAADRA2A
SCHEMBL14440005 1.00 DPP4 (0.62) DPP4ADRA2CKDM4ELMNAADRA2A
SCHEMBL16847208 1.00 DPP4 (0.62) DPP4ADRA2CKDM4ELMNAADRA2A
Hydrochloric Acid SCHEMBL520233 0.98 ALDH1A1 (0.61) DPP4ADRA2CKDM4ELMNAADRA2A
Hydrochloric Acid SCHEMBL520234 0.98 ALDH1A1 (0.61) DPP4ADRA2CKDM4ELMNAADRA2A
Hydrochloric Acid SCHEMBL3589482 0.98 ALDH1A1 (0.61) DPP4ADRA2CKDM4ELMNAADRA2A
Hydrochloric Acid SCHEMBL18765989 0.98 ALDH1A1 (0.61) DPP4ADRA2CKDM4ELMNAADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 — — US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 — — US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 — — US disclosed
EP-2507210-B1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2015-04-08 — — EP disclosed
EP-2507210-B1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2015-04-08 — — EP disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 — — US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 — — US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 — — US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 — — US disclosed
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 — — EP disclosed
US-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS HOFFMANN-LA ROCHE, INC. 2010-12-09 — — US disclosed
US-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS HOFFMANN-LA ROCHE, INC. 2010-12-09 — — US disclosed
WO-2010139707-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-09 — — WO disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 — — US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 — — US disclosed
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides APSINTERM, LLC 2007-12-20 — — US disclosed
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides APSINTERM, LLC 2007-12-20 — — US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 — — US disclosed
US-7064214-B2 Methods of preparing sulfinamides and sulfoxides APSINTERM LLC (US) 2006-06-20 — — US disclosed
US-20030083517-A1 Methods of preparing sulfinamides and sulfoxides APSINTERM LLC 2003-05-01 — — 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 (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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY DPP4 955/4885ADRA2C 1643/4885KDM4E 1416/4885
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides STS, TST, CBS DPP4 3283/4885ADRA2C 4369/4885KDM4E 1874/4885
US-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R DPP4 2383/4885ADRA2C 74/4885KDM4E 3046/4885
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C DPP4 123/4885ADRA2C 219/4885KDM4E 520/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A DPP4 45/4885ADRA2C 60/4885KDM4E 234/4885
US-20030083517-A1 Methods of preparing sulfinamides and sulfoxides STS, TST, CBS DPP4 3283/4885ADRA2C 4369/4885KDM4E 1874/4885

“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.