Sugi Predict

Sugi Predict / Compounds / SCHEMBL1399862

SCHEMBL1399862

SCHEMBL1399862

COc1ccc2c(c1)C(=O)OC(=O)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 2/20 0.55
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 4/20 0.50
▸ GAA P10253 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ACHE P22303 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2334456 0.90 METAP1 (0.57) METAP1ALDH1A1HPGDGAAKDM4E
SCHEMBL9266748 0.81 ALDH1A1 (0.51) ALDH1A1GAAKDM4ECYP3A4KMT2A
SCHEMBL14495775 0.79 CA12 (0.54) METAP1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL669908 0.79 CYP3A4 (0.59) ALDH1A1HPGDGAAKDM4ECYP3A4
SCHEMBL31410961 0.79 CYP3A4 (0.59) ALDH1A1HPGDGAAKDM4ECYP3A4
SCHEMBL31525565 0.79 CA12 (0.54) METAP1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL21426605 0.78 AKR1B1 (0.39) METAP1TDP1MAOB
SCHEMBL26767255 0.78 METAP1 (0.54) METAP1ALDH1A1HPGDGAAKDM4E
SCHEMBL2336115 0.77 METAP1 (0.51) METAP1ALDH1A1HPGDKDM4EACHE
SCHEMBL21383038 0.76 MAOB (0.67) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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
CN-113480520-B Isoquinoline-1, 3(2H, 4H) -diketone derivative and application thereof 吉林大学 2022-05-13 — — CN disclosed
EP-2639212-B1 Enantioselective organic anhydride reactions PROVOST FELLOWS & SCHOLARS COLLEGE OF THE HOLY UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2016-03-09 — — EP disclosed
US-9050586-B2 Enantioselective organic anhydride reactions THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2015-06-09 — — US disclosed
US-20130245268-A1 ENANTIOSELECTIVE ORGANIC ANHYDRIDE REACTIONS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD (IE) 2013-09-19 — — US disclosed
EP-2639212-A1 Enantioselective organic anhydride reactions The Provost, Fellows, Foundation Scholars, & the other members of Board, of the College of the Holy & Undiv. Trinity of Queen Elizabeth near Dublin (IE) 2013-09-18 — — EP disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 — — US disclosed
EP-2358682-A2 ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2011-08-24 — — EP disclosed
EP-1831174-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2011-03-02 — — EP disclosed
US-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-09-16 — — US disclosed
US-7786115-B2 Amide derivatives ASTRAZENECA AB (SE) 2010-08-31 — — US disclosed
WO-2007149031-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-12-27 — — WO disclosed
EP-1831174-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2007-09-12 — — EP disclosed
WO-2006067444-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-06-29 — — WO disclosed
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 — — EP disclosed
US-6004977-A ANTIDEPRESSANTS, COGNITION ACTIVATORS, AND ALZHEIMER'S DISEASE TREATMENT HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 — — US disclosed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 — — EP disclosed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 — — WO disclosed
US-5399702-A Leukotriene antagonists; antiasthmatic, antiallergen, and antianaphylactic agents HOFFMANN-LA ROCHE INC. (US) 1995-03-21 — — US disclosed
EP-0577003-A1 Thiazolylvinylphenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-01-05 — — EP disclosed
US-5273986-A A substituted phenylalkyleneamidophenyleneethylene thiazole HOFFMANN-LA ROCHE INC. (US) 1993-12-28 — — 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 (3 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-20130245268-A1 ENANTIOSELECTIVE ORGANIC ANHYDRIDE REACTIONS AKR1B10, ALDH3A1, AKR1C4 METAP1 3770/4885ALDH1A1 34/4885HPGD 871/4885
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 METAP1 1212/4885ALDH1A1 2613/4885HPGD 1274/4885
US-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES IL2, IFNG, IL1B METAP1 2846/4885ALDH1A1 808/4885HPGD 828/4885

“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.