Sugi Predict

Sugi Predict / Compounds / SCHEMBL375504

SCHEMBL375504

SCHEMBL375504

CC(C)(C)OC(=O)NCCOc1ccccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ PTK2B Q14289 1/20 0.54
▸ IDO1 P14902 1/20 0.52
▸ SCN9A Q15858 1/20 0.51
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ PDK2 Q15119 1/20 0.47
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ HIF1A Q16665 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
SCHEMBL28956980 0.92 ALDH1A1 (0.63) KMT2AALDH1A1PTK2BIDO1SCN9A
SCHEMBL19979808 0.91 CA12 (0.53) KMT2AALDH1A1PTK2BIDO1CA12
SCHEMBL20919645 0.88 SCN9A (0.48) KMT2AALDH1A1PTK2BIDO1SCN9A
SCHEMBL375401 0.88 SCN9A (0.50) KMT2AALDH1A1IDO1SCN9ACA12
SCHEMBL29468672 0.88 MEN1 (0.53) KMT2AIDO1SCN9ACA12CA1
SCHEMBL6168898 0.86 ALDH1A1 (0.49) KMT2AALDH1A1PTK2BIDO1CA12
SCHEMBL14932549 0.85 CA12 (0.52) ALDH1A1IDO1SCN9ACA12CA1
SCHEMBL375896 0.85 TBXAS1 (0.48) IDO1SCN9ACA12CA1CA2
SCHEMBL3152646 0.85 CA12 (0.49) KMT2AIDO1SCN9ACA12CA1
SCHEMBL2830568 0.83 MTNR1A (0.67) KMT2AIDO1SCN9ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010913-A Rhodamine-marked isoquinoline derivative and preparation method and application thereof 淮阴师范学院 2026-05-12 — — CN disclosed
CN-116535449-A Glycosyl gallic acid derivative, preparation method thereof and application thereof in preparation of breast cancer targeting diagnosis and treatment material 华东理工大学 2023-08-04 — — CN disclosed
CN-116514883-A Glycosyl gallic acid derivative, preparation method and application thereof in preparation of liver disease targeting diagnosis and treatment material 华东理工大学 2023-08-01 — — CN disclosed
CN-115850358-A GalNAc cluster phosphoramidites and targeted therapeutic nucleosides 南京吉迈生物技术有限公司 2023-03-28 — — CN disclosed
CN-114716490-B GalNAc cluster phosphoramidites and targeted therapeutic nucleosides 南京吉迈生物技术有限公司 2022-11-25 — — CN disclosed
CN-114716490-A GalNAc cluster phosphoramidites and targeted therapeutic nucleosides 南京吉迈生物技术有限公司 2022-07-08 — — CN disclosed
EP-2632460-B1 THIOPHENE DERIVATIVES FOR USE IN THE TREATMENT OF TUBERCULOSIS UNIV VIRGINIA PATENT FOUNDATION (US) 2018-02-28 — — EP disclosed
US-9376430-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-06-28 — — US disclosed
US-9333193-B2 Compositions and methods for treating tuberculosis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-05-10 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
WO-2012040170-A2 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-03-29 — — WO disclosed
EP-2408770-A2 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS University Of Virginia Patent Foundation (US) 2012-01-25 — — EP disclosed
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-12 — — US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — WO disclosed
WO-2010107736-A2 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-09-23 — — WO disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 — — US disclosed
EP-1117651-A1 NEW BIS-BENZIMIDAZOLES Bayer Aktiengesellschaft (DE) 2001-07-25 — — EP disclosed
WO-2000020401-A1 NEW BIS-BENZIMIDAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-13 — — WO disclosed
US-5929120-A Guainidino, formamidino, amino and related compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1999-07-27 — — US disclosed
US-5741796-A Pyridyl and naphthyridyl compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1998-04-21 — — 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 (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-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 KMT2A 476/4885ALDH1A1 941/4885PTK2B 3814/4885
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 KMT2A 4279/4885ALDH1A1 4060/4885PTK2B 1175/4885

“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.