Sugi Predict

Sugi Predict / Compounds / SCHEMBL7438422

SCHEMBL7438422

SCHEMBL7438422

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.57
▸ CTSK P43235 4/20 0.50
▸ CTSS P25774 4/20 0.50
▸ KLK5 Q9Y337 1/20 0.47
▸ PPARG P37231 3/20 0.46
▸ PPARA Q07869 3/20 0.46
▸ PPARD Q03181 2/20 0.46
▸ APP P05067 1/20 0.46
▸ ATM Q13315 2/20 0.45
▸ CA2 P00918 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43

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
SCHEMBL8283003 1.00 TRPA1 (0.57) TRPA1CTSKCTSSKLK5PPARG
SCHEMBL8284734 0.85 CTSK (0.48) TRPA1CTSKCTSSKLK5PPARG
SCHEMBL7437423 0.85 PPARA (0.47) TRPA1CTSKCTSSKLK5PPARG
SCHEMBL16235262 0.85 TRPA1 (0.58) TRPA1CTSKCTSSCA2MEN1
SCHEMBL14087330 0.85 CTSK (0.48) TRPA1CTSKCTSSKLK5PPARG
SCHEMBL23619006 0.84 PPARA (0.48) CTSKCTSSPPARGPPARAPPARD
SCHEMBL15432503 0.84 PPARA (0.48) CTSKCTSSPPARGPPARAPPARD
SCHEMBL3740636 0.84 PPARA (0.48) CTSKCTSSPPARGPPARAPPARD
SCHEMBL8379726 0.82 TRPA1 (0.52) TRPA1CTSKCTSSPPARG
SCHEMBL8379733 0.82 TRPA1 (0.52) TRPA1CTSKCTSSPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388445-A Indazole ether compound and preparation method and application thereof 河北科技大学 2024-07-26 — — CN disclosed
US-20230167068-A1 BENZOPYRAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 — — US disclosed
WO-2023274040-A1 CRYSTAL FORM OF TRIAZOLOPYRIDINE-SUBSTITUTED INDAZOLE COMPOUND AND PREPARATION METHOD THEREFOR 南京明德新药研发有限公司 2023-01-05 — — WO disclosed
EP-3433248-B1 PHYSICAL FORM OF A SGR MODULATOR ASTRAZENECA AB (SE) 2022-06-22 — — EP disclosed
CN-109415348-B Novel physical forms of SGR modulators 阿斯利康(瑞典)有限公司 2021-09-03 — — CN disclosed
WO-2021136429-A1 BENZOPYRAZOLE COMPOUND 南京明德新药研发有限公司 2021-07-08 — — WO disclosed
US-10407404-B2 Physical form of a SGR modulator ASTRAZENECA AB (SE) 2019-09-10 — — US disclosed
EP-3197878-B1 1-ALKYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL COMPOUNDS AND USE AS SGRM MODULATORS ASTRAZENECA AB (SE) 2019-07-24 — — EP disclosed
US-20190106402-A1 Physical Form Of A SGR Modulator STA PHARMACEUTICAL R&D CO., LTD (CN) 2019-04-11 — — US disclosed
US-10196374-B2 1-alkyl-6-oxo-1,6-dihydropyridin-3-yl compounds and use as SGRM modulators ASTRAZENECA AB (SE) 2019-02-05 — — US disclosed
WO-2017161518-A1 NEW PHYSICAL FORM ASTRAZENECA AB (SE) 2017-09-28 — — WO disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 — — US disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 — — US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 — — US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 — — US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 — — US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 — — US disclosed
WO-2005085275-A1 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE SCHERING CORPORATION (US) 2005-09-15 — — WO disclosed
US-5773468-A Irreversible HIV protease inhibitor having an anti-aids activity and process for the preparation thereof LG CHEMICAL LIMITED (KR) 1998-06-30 — — US disclosed
EP-0770606-A1 Cis-epoxide derivate useful as irreversible HIV protease inhibitor and process for its preparation LG Chemical Limited (KR) 1997-05-02 — — 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 (5 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-20230167068-A1 BENZOPYRAZOLE COMPOUND ABCB1, CYP3A43, CYP3A5 TRPA1 679/4885CTSK 955/4885CTSS 2410/4885
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease HAVCR2, RNASE1, SERPINB1 TRPA1 3117/4885CTSK 275/4885CTSS 103/4885
US-20190106402-A1 Physical Form Of A SGR Modulator FIS1, CHRM3, NDUFB7 TRPA1 2783/4885CTSK 1252/4885CTSS 1014/4885
US-10407404-B2 Physical form of a SGR modulator FIS1, CHRM3, NDUFB7 TRPA1 2783/4885CTSK 1252/4885CTSS 1014/4885
US-10196374-B2 1-alkyl-6-oxo-1,6-dihydropyridin-3-yl compounds and use as SGRM modulators ADRM1, GRM1, GRM6 TRPA1 4446/4885CTSK 2072/4885CTSS 1844/4885

“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.