Sugi Predict

Sugi Predict / Compounds / SCHEMBL1121892

SCHEMBL1121892

SCHEMBL1121892

CC(C)(C)OC(=O)c1ccc(O)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.51
▸ CA12 O43570 4/20 0.50
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ CA14 Q9ULX7 4/20 0.50
▸ SLC7A5 Q01650 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 4/20 0.46
▸ GAA P10253 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ RECQL P46063 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 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
SCHEMBL9470701 0.86 CA12 (0.50) ALOX15CA12CA1CA2CA9
SCHEMBL11090176 0.86 ALOX15 (0.53) ALOX15CA12CA1CA2CA9
SCHEMBL39054 0.84 CA12 (0.63) ALOX15CA12CA1CA2CA9
SCHEMBL1027265 0.83 MAPT (0.59) ALOX15CA12CA1CA2CA9
SCHEMBL28772322 0.82 CA1 (0.57) ALOX15CA12CA1CA2CA9
SCHEMBL23093930 0.81 ALOX15 (0.50) ALOX15CA12CA1CA2CA9
SCHEMBL2686416 0.81 ALOX15 (0.50) ALOX15CA12CA1CA2CA9
SCHEMBL1570461 0.81 CA12 (0.47) ALOX15CA12CA1CA2CA9
SCHEMBL29357340 0.80 CA12 (0.69) ALOX15CA12CA1CA2CA9
SCHEMBL24412 0.80 CA12 (0.69) ALOX15CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420557-B Zhu Gongjun acid analogue, and preparation method and application thereof 济南爱思医药科技有限公司 2024-10-11 — — CN disclosed
CN-118420557-A Zhu Gongjun acid analogue, and preparation method and application thereof 济南爱思医药科技有限公司 2024-08-02 — — CN disclosed
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 — — US disclosed
CN-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 — — CN disclosed
WO-2021115375-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF 四川海思科制药有限公司 2021-06-17 — — WO disclosed
CN-110483366-A Benzazole compounds and preparation method thereof, pharmaceutical composition and purposes INST MATERIA MEDICA CAMS 2019-11-22 — — CN disclosed
CN-102702193-A Anti-viral compounds ABBOTT LAB 2012-10-03 — — CN disclosed
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 — — CN disclosed
EP-1831184-B1 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS WELLCOME TRUST LTD (GB) 2011-02-09 — — EP disclosed
US-7737152-B2 6-carboaryl-oxy-pyrazin-2-yl-carboaryl-amines and compositions comprising said compounds THE WELLCOME TRUST LIMITED (GB) 2010-06-15 — — US disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 — — US disclosed
CN-1372548-A Heterocyclic compound and medical use thereof AJINOMOTO KK (JP) 2002-10-02 — — CN disclosed
US-6429213-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIS AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-06 — — US disclosed
EP-1135377-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-09-26 — — EP disclosed
EP-1087937-A1 CYCLIC HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-04-04 — — EP disclosed
WO-1999064048-A9 INHIBITORS OF HIV REVERSE TRANSCRIPTASE ADVANCED MEDICINE INC (US) 2000-07-20 — — WO disclosed
WO-2000034254-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-06-15 — — WO disclosed
EP-1003541-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE Advanced Medicine, Inc. (US) 2000-05-31 — — EP disclosed
WO-1999065867-A1 CYCLIC HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-12-23 — — WO disclosed
WO-1999064048-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE ADVANCED MEDICINE, INC. (US) 1999-12-16 — — 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 (2 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-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 ALOX15 1005/4885CA12 1739/4885CA1 1399/4885
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF ENPP2, NMT2, NMT1 ALOX15 1904/4885CA12 835/4885CA1 288/4885

“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.