Sugi Predict

Sugi Predict / Compounds / SCHEMBL265969

SCHEMBL265969

SCHEMBL265969

COc1ccccc1C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 2/20 0.49
▸ CACNA1B Q00975 1/20 0.45
▸ PPARA Q07869 5/20 0.43
▸ PPARG P37231 4/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ ITGB7 P26010 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ DRD2 P14416 1/20 0.42

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
SCHEMBL17395943 1.00 CTSS (0.49) CTSSCTSKCACNA1BPPARAPPARG
SCHEMBL21777294 1.00 CTSS (0.49) CTSSCTSKCACNA1BPPARAPPARG
SCHEMBL8617411 0.87 CTSS (0.45) CTSSCTSKCACNA1BATMTACR1
SCHEMBL8615645 0.87 CTSS (0.46) CTSSCTSKCACNA1BPPARAPPARG
SCHEMBL15226488 0.87 CTSS (0.45) CTSSCTSKPPARAPPARGATM
SCHEMBL2707685 0.86 KMT2A (0.47) ATMKMT2A
SCHEMBL205096 0.86 KMT2A (0.47) ATMKMT2A
SCHEMBL205095 0.86 KMT2A (0.47) ATMKMT2A
SCHEMBL30558136 0.85 CTSS (0.41) CTSSCTSKPPARAPPARGITGA4
SCHEMBL3815433 0.85 CTSS (0.41) CTSSCTSKPPARAPPARGITGA4

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
US-12582644-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2026-03-24 — — US disclosed
CN-110753691-B Compounds for therapeutic and/or prophylactic treatment of cancer 豪夫迈·罗氏有限公司 2024-02-02 — — CN disclosed
EP-3630754-B1 ISOINDOLINE-ACETYLENE COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2022-07-27 — — EP disclosed
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-11 — — US disclosed
US-11117890-B2 Substituted isoindole allosteric EGFR inhibitors HOFFMAN LA-ROCHE INC. (US) 2021-09-14 — — US disclosed
EP-3630754-A1 COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-04-08 — — EP disclosed
US-20200102299-A1 COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-04-02 — — US disclosed
WO-2020047251-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-03-05 — — WO disclosed
CN-110753691-A Compound (I) 豪夫迈·罗氏有限公司 2020-02-04 — — CN disclosed
EP-3303328-B1 AMINOESTER DERIVATIVES CHIESI FARM SPA (IT) 2019-03-20 — — EP disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 — — US disclosed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 — — EP disclosed
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 — — EP disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 — — WO disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 — — US disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
US-5739351-A NEUROKININ A ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1998-04-14 — — 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 (6 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-11117890-B2 Substituted isoindole allosteric EGFR inhibitors EGFR, ERBB2, ERBB3 CTSS 4274/4885CTSK 3549/4885CACNA1B 2861/4885
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 CTSS 1741/4885CTSK 3769/4885CACNA1B 1217/4885
US-12582644-B2 O-GlcNAc transferase inhibitors and uses thereof OGA, OGT, OSTC CTSS 1495/4885CTSK 3504/4885CACNA1B 3079/4885
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGT, OGA, UGGT1 CTSS 897/4885CTSK 1546/4885CACNA1B 3731/4885
US-20200102299-A1 COMPOUNDS EGFR, ERBB2, ERBB3 CTSS 1132/4885CTSK 2666/4885CACNA1B 2877/4885
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A CTSS 4504/4885CTSK 4783/4885CACNA1B 844/4885

“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.