Sugi Predict

Sugi Predict / Compounds / SCHEMBL2501546

SCHEMBL2501546

SCHEMBL2501546

COc1ccccc1N(OC)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ CA7 P43166 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA4 P22748 1/20 0.55
▸ CA14 Q9ULX7 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.44
▸ TP53 P04637 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ APP P05067 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ENPP2 Q13822 1/20 0.41
▸ HTR7 P34969 2/20 0.40
▸ ORAI1 Q96D31 1/20 0.40

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
Hydrochloric Acid SCHEMBL6667578 0.98 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL29004607 0.80 SMN1; SMN2 (0.45) CA1CA2CA7CA9CA12
SCHEMBL4540956 0.80 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL2539698 0.78 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL17485907 0.78 CA1 (0.57) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL2862732 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL14236990 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL14317695 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL4302129 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL16471688 0.76 CA1 (0.55) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960325-B Ultrathin chiral fluorescent covalent organic framework nano-sheet and preparation method and application thereof 中国科学院福建物质结构研究所 2024-11-12 — — CN claimed
CN-118367143-A Composite binder and application thereof 上海兰钧新能源科技有限公司 2024-07-19 — — CN claimed
CN-115960325-A Ultrathin chiral fluorescent covalent organic framework nanosheet and preparation method and application thereof 中国科学院福建物质结构研究所 2023-04-14 — — CN claimed
CN-110343070-A A kind of Antitubulin and the preparation method and application thereof 山东大学 2019-10-18 — — CN claimed
CN-103626816-B The synthetic method of acetylglucosamine base imidazoles-2,4,5-triketone and bacteriostatic application HUAIHAI INSTITUTE OF TECHNOLOGY (CN) 2016-04-13 — — CN claimed
CN-104478836-A Benzofuran compound as well as preparation method and application thereof UNIV SHANGHAI JIAOTONG 2015-04-01 — — CN claimed
CN-103214441-B Resveratrol dimer derivative as well as preparation and application method thereof UNIV SHANGHAI JIAOTONG 2014-08-27 — — CN claimed
CN-103588763-A 2-substituted-3-arylketone-6-(5-methyl-2-phenyl-4-ehtyoxyloxazole)benzofuran compound UNIV SHANGHAI JIAOTONG 2014-02-19 — — CN claimed
CN-103214441-A Resveratrol dimer derivative as well as preparation and application method thereof UNIV SHANGHAI JIAOTONG 2013-07-24 — — CN claimed
CN-102775371-A Substituted thiadiazine derivatives, as well as preparation method and application thereof UNIV SHANDONG 2012-11-14 — — CN claimed
CN-100384869-C Diisopropoxy phosphoryl dipeptide trimethoxy benzamide compound and its preparation process UNIV TSINGHUA GRADUATE SCHOOL (CN) 2008-04-30 — — CN claimed
CN-1789277-A Diisopropoxy phosphoryl dipeptide trimethoxy benzamide compound and its preparation process UNIV TSINGHUA GRADUATE SCHOOL (CN) 2006-06-21 — — CN claimed
CN-1747993-A Fluorine-containing elastomer composition 3M INNOVATIVE PROPERTIES CO (US) 2006-03-15 — — CN claimed
US-20030199694-A1 Thermally stable trimetrexates and processes for producing the same MEDIMMUNE ONCOLOGY, INC. 2003-10-23 — — US claimed
US-20020107393-A1 Tremextrexate derivatives and pharmaceutical compositions comprising the same MEDIMMUNE ONCOLOGY, INC. 2002-08-08 — — US claimed
EP-1080079-A4 THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME US BIOSCIENCE (US) 2001-10-04 — — EP claimed
US-6258952-B1 CRYSTALLIZATION MEDIMMUNE ONCOLOGY, INC. 2001-07-10 — — US claimed
EP-1080079-A1 THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME U.S. BIOSCIENCE, INC. (US) 2001-03-07 — — EP claimed
WO-1999059981-A1 THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME U.S. BIOSCIENCE, INC. (US) 1999-11-25 — — WO claimed
EP-0064445-B1 N-SUBSTITUTED 2,4-DIALKOXYBENZENE SULFON AMIDES CHOAY S.A. (FR) 1984-10-24 — — EP claimed

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-20030199694-A1 Thermally stable trimetrexates and processes for producing the same TYMS, TYMP, TOP1 CA1 1156/4885CA2 1262/4885CA7 1336/4885
US-20020107393-A1 Tremextrexate derivatives and pharmaceutical compositions comprising the same TYMP, TYMS, DTYMK CA1 2110/4885CA2 1708/4885CA7 1480/4885

“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.