Sugi Predict

Sugi Predict / Compounds / SCHEMBL68389

SCHEMBL68389

SCHEMBL68389

O=C(O)[C@@H]1CCC[C@H](C(=O)O)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.63
▸ LMNA P02545 3/20 0.63
▸ BLM P54132 3/20 0.63
▸ TSHR P16473 3/20 0.63
▸ ALOX15 P16050 2/20 0.63
▸ CYP1A2 P05177 2/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ PMP22 Q01453 2/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ THRB P10828 1/20 0.63
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36

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
SCHEMBL18510082 1.00 CYP2D6 (0.63) CYP2D6LMNABLMTSHRALOX15
SCHEMBL107090 1.00 CYP2D6 (0.63) CYP2D6LMNABLMTSHRALOX15
Hydrochloric Acid SCHEMBL3940415 0.97 TSHR (0.60) CYP2D6LMNABLMTSHRALOX15
Hydrochloric Acid SCHEMBL4707097 0.97 TSHR (0.60) CYP2D6LMNABLMTSHRALOX15
SCHEMBL17743451 0.97 CYP2D6 (0.60) CYP2D6LMNABLMTSHRALOX15
SCHEMBL23421119 0.88 CYP2C19 (0.71) CYP2D6LMNABLMTSHRALOX15
SCHEMBL2805632 0.88 CYP2C19 (0.71) CYP2D6LMNABLMTSHRALOX15
SCHEMBL16620358 0.88 CYP2C19 (0.71) CYP2D6LMNABLMTSHRALOX15
SCHEMBL4707192 0.88 CYP2C19 (0.71) CYP2D6LMNABLMTSHRALOX15
SCHEMBL13973941 0.88 CYP2C19 (0.71) CYP2D6LMNABLMTSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844081-B2 Protected organoboronic acids with tunable reactivity, and methods of use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-11-24 — — US disclosed
US-10844081-B2 Protected organoboronic acids with tunable reactivity, and methods of use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-11-24 — — US disclosed
EP-1910426-B1 DIENE POLYMERISATION INEOS SALES (UK) LTD (GB) 2018-01-03 — — EP disclosed
WO-2017027435-A1 PROTECTED ORGANOBORONIC ACIDS WITH TUNABLE REACTIVITY, AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-02-16 — — WO disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 — — EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 — — US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 — — US disclosed
US-8124698-B2 Diene polymerisation INEOS EUROPE LIMITED (GB) 2012-02-28 — — US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 — — US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 — — US disclosed
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-08-14 — — US disclosed
EP-1919911-A1 BICYCLIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2008-05-14 — — EP disclosed
EP-1910426-A1 DIENE POLYMERISATION INEOS EUROPE LIMITED (GB) 2008-04-16 — — EP disclosed
WO-2007021574-A1 BICYCLIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 — — WO disclosed
US-20070037816-A1 Bicyclic piperazines as metabotropic glutatmate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 — — US disclosed
WO-2007015074-A1 DIENE POLYMERISATION INEOS EUROPE LIMITED (GB) 2007-02-08 — — WO disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
EP-1000030-A1 PIPERIDINE OLIGOMERS AND COMBINATORIAL LIBRARIES THEREOF Phytera Symbion ApS (DK) 2000-05-17 — — EP disclosed
WO-1999003832-A1 PIPERIDINE OLIGOMERS AND COMBINATORIAL LIBRARIES THEREOF PHYTERA SYMBION APS (DK) 1999-01-28 — — 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 CYP2D6 607/4885LMNA 3320/4885BLM 3604/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 CYP2D6 3747/4885LMNA 2207/4885BLM 1873/4885
US-10844081-B2 Protected organoboronic acids with tunable reactivity, and methods of use thereof CYP2B6, HMBS, DDT CYP2D6 35/4885LMNA 2705/4885BLM 419/4885
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists GRM1, GRM5, GRIN1 CYP2D6 2843/4885LMNA 4217/4885BLM 4829/4885
US-20070037816-A1 Bicyclic piperazines as metabotropic glutatmate receptor antagonists GRM5, GRM1, GRIN1 CYP2D6 1767/4885LMNA 4118/4885BLM 4725/4885

“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.