Sugi Predict

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SCHEMBL627476

SCHEMBL627476

CC1CC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ PREP P48147 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GPR119 Q8TDV5 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL5152864 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10ACE
SCHEMBL646565 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10ACE
SCHEMBL6567834 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10ACE
SCHEMBL29050069 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10ACE
SCHEMBL192488 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10ACE
SCHEMBL20348248 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10ACE
SCHEMBL1294140 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10ACE
SCHEMBL192489 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10ACE
SCHEMBL5955704 0.90 ACE (0.51) CHRM2CHRM1CHRM3HSD17B10ACE
SCHEMBL18018402 0.90 ACE (0.51) CHRM2CHRM1CHRM3HSD17B10ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116171280-A Casein kinase 1 delta modulators 詹森药业有限公司 2023-05-26 — — CN disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 — — US disclosed
US-10800789-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-13 — — US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 — — US disclosed
US-20190337960-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-11-07 — — US disclosed
EP-3239153-B1 9-(1H-IMIDAZOL-5-YL)-1,11-DIHYDROISOCHROMENO[4',3':6,7]NAPHTHO[1,2-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF HCV NS5A GILEAD PHARMASSET LLC (US) 2019-05-08 — — EP disclosed
EP-3055302-B1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS HOFFMANN LA ROCHE (CH) 2018-12-26 — — EP disclosed
EP-3404030-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2018-11-21 — — EP disclosed
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-10-04 — — US disclosed
CN-105612153-B Substituted heterocyclic sulfonamide compound as TRPA1 conditioning agents 豪夫迈·罗氏有限公司 2018-09-14 — — CN disclosed
WO-2008046527-A1 ACYLAMINOPYRAZOLES FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-24 — — WO disclosed
WO-2008043533-A2 ACYL AMINOIMIDAZOLES AND ACYL AMINOTHIAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-17 — — WO disclosed
US-7301022-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-11-27 — — US disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 — — WO disclosed
US-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 — — US disclosed
US-20060183745-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-08-17 — — US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 — — US disclosed
WO-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 — — WO disclosed
US-6403612-B2 UREA CONTAINING COMPOUNDS INHIBIT THE AGGREGATION OF BLOOD PLATELETS; NONTOXIC MERCK & CO., INC. 2002-06-11 — — US disclosed
US-20010044454-A1 Thrombin receptor antagonists MERCK SHARP & DOHME CORP. 2001-11-22 — — 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 (8 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-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 CHRM2 2473/4885CHRM1 2859/4885CHRM3 1909/4885
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CHRM2 2810/4885CHRM1 3419/4885CHRM3 1976/4885
US-20060183745-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CHRM2 1022/4885CHRM1 1008/4885CHRM3 446/4885
US-20010044454-A1 Thrombin receptor antagonists F2R, TBXA2R, PTAFR CHRM2 2564/4885CHRM1 1805/4885CHRM3 1949/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 CHRM2 2473/4885CHRM1 2859/4885CHRM3 1909/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 CHRM2 2473/4885CHRM1 2859/4885CHRM3 1909/4885
US-10800789-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 CHRM2 4866/4885CHRM1 4813/4885CHRM3 4743/4885
US-20190337960-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CHRM2 4866/4885CHRM1 4813/4885CHRM3 4743/4885

“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.