Sugi Predict

Sugi Predict / Compounds / SCHEMBL418106

SCHEMBL418106

SCHEMBL418106

Oc1cccc(-c2ccco2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.58
▸ FYN P06241 1/20 0.52
▸ HSD17B1 P14061 7/20 0.52
▸ HSD17B2 P37059 7/20 0.52
▸ CYP3A4 P08684 5/20 0.52
▸ CYP2C9 P11712 3/20 0.52
▸ PRMT6 Q96LA8 1/20 0.50
▸ ERN1 O75460 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ TAAR1 Q96RJ0 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44

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
SCHEMBL30060639 1.00 KEAP1 (0.58) KEAP1FYNHSD17B1HSD17B2CYP3A4
SCHEMBL31418354 0.83 FYN (0.50) KEAP1FYNHSD17B1HSD17B2CYP3A4
SCHEMBL6067949 0.83 ERN1 (0.49) KEAP1FYNPRMT6ERN1TAAR1
SCHEMBL244155 0.79 — —
SCHEMBL28323221 0.77 TAAR1 (0.62) KEAP1PRMT6ERN1ADORA2ATAAR1
SCHEMBL27761661 0.77 KEAP1 (0.59) KEAP1PRMT6ERN1ADORA2ATAAR1
SCHEMBL16844376 0.76 MAPT (0.60) FYNHSD17B1HSD17B2ALDH1A1LMNA
SCHEMBL419195 0.76 TAAR1 (0.61) KEAP1ERN1ADORA2AADORA1TAAR1
SCHEMBL5386093 0.76 TAAR1 (0.56) KEAP1PRMT6ERN1TAAR1ALDH1A1
SCHEMBL23567449 0.75 PIK3R1 (0.54) KEAP1PRMT6ERN1TAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147484-A1 Benzoxazine Derivatives Vitrimers LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY (MO) 2023-05-11 — — US claimed
EP-4118075-A1 BENZOXAZINE DERIVATIVES VITRIMERS Luxembourg Institute of Science and Technology (LIST) (LU) 2023-01-18 — — EP claimed
CN-115335366-A Glass-like polymers of benzoxazine derivatives 卢森堡科学技术研究院 2022-11-11 — — CN claimed
WO-2021180562-A1 BENZOXAZINE DERIVATIVES VITRIMERS LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY (LIST) (LU) 2021-09-16 — — WO claimed
US-6803388-B2 TREATING ATHEROSCLEROSIS AND CORONARY ARTERY DISEASES; STEREOSELECTIVE; CHEMICAL INTERMEDIATES PFIZER, INC. 2004-10-12 — — US claimed
US-6696472-B2 TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES PHARMACIA CORPORATION 2004-02-24 — — US claimed
US-6683099-B2 FOR THERAPY OF ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES PHARMACIA CORPORATION 2004-01-27 — — US claimed
US-6677382-B1 HALOGENATED OXYAMINES, USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS, AND AS ANTILIPEMIC AGENTS PHARMACIA CORPORATION 2004-01-13 — — US claimed
US-6521607-B1 Preventing coronary artery disease PHARMACIA CORPORATION 2003-02-18 — — US claimed
US-6476057-B1 ANTICHOLESTEROL AGENTS; ANTILIPEMIC AGENTS; CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-11-05 — — US claimed
US-6458852-B1 A METHOD OF TREATING OR PREVENTING A CETP-MEDIATED DISORDER IN A SUBJECT BY ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FOR CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-10-01 — — US claimed
US-6451823-B1 Use of substituted N-phenoxy-N-phenyl aminoalcohol compounds for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-09-17 — — US claimed
US-12612373-B2 Benzoxazine derivatives vitrimers LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY (LIST) (LU) 2026-04-28 — — US disclosed
US-20230147484-A1 Benzoxazine Derivatives Vitrimers LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY (MO) 2023-05-11 — — US disclosed
EP-4118075-A1 BENZOXAZINE DERIVATIVES VITRIMERS Luxembourg Institute of Science and Technology (LIST) (LU) 2023-01-18 — — EP disclosed
CN-115335366-A Glass-like polymers of benzoxazine derivatives 卢森堡科学技术研究院 2022-11-11 — — CN disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 — — EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 — — US disclosed
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 — — CN disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 — — EP 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-20230147484-A1 Benzoxazine Derivatives Vitrimers TXN, XDH, PRXL2A KEAP1 1189/4885FYN 4120/4885HSD17B1 1132/4885
US-12612373-B2 Benzoxazine derivatives vitrimers XDH, PRXL2A, CRYZ KEAP1 441/4885FYN 4506/4885HSD17B1 711/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 KEAP1 193/4885FYN 1112/4885HSD17B1 874/4885

“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.