SCHEMBL3646792

SCHEMBL3646792

CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ MMP12 P39900 2/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ S1PR3 Q99500 1/20 0.44
▸ GABRB1 P18505 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ACE P12821 1/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ PDE2A O00408 2/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL16563429 0.88 ALDH1A1 (0.46) CTSSCTSKS1PR3GABRB1GABRB2
SCHEMBL807380 0.85 GABRB1 (0.47) CTSSCTSKMMP12MMP13S1PR3
SCHEMBL21272612 0.85 GABRB1 (0.47) CTSSCTSKMMP12MMP13S1PR3
SCHEMBL844432 0.85 ATM (0.56) CTSSCTSKS1PR3ATMALDH1A1
SCHEMBL3217896 0.85 ATM (0.56) CTSSCTSKS1PR3ATMALDH1A1
SCHEMBL844431 0.85 ATM (0.56) CTSSCTSKS1PR3ATMALDH1A1
SCHEMBL5556840 0.84 CXCR2 (0.50) CTSSCTSKMMP13S1PR3GABRB1
SCHEMBL24494666 0.83 ACACB (0.51) ALDH1A1PDE2A
SCHEMBL16333438 0.83 PPARG (0.52) CTSSCTSKS1PR3GABRB1GABRB2
SCHEMBL2833637 0.83 PPARG (0.52) CTSSCTSKS1PR3GABRB1GABRB2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017508-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-10 — — US disclosed
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 — — EP disclosed
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-05-11 — — US disclosed
CN-104245698-B Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-11-30 — — CN disclosed
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 — — US disclosed
US-20160264536-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-15 — — US disclosed
EP-3061754-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-08-31 — — EP disclosed
US-20160159808-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 — — US disclosed
EP-3026051-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-01 — — EP disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 — — US disclosed
EP-2848618-A1 NITROGENATED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-03-18 — — EP disclosed
EP-2350020-B1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-13 — — EP disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 — — US disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 — — US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 — — US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 — — US disclosed
WO-2011119559-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2011-09-29 — — WO disclosed
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A CTSS 3386/4885CTSK 4139/4885MMP12 1046/4885
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A CTSS 3386/4885CTSK 4139/4885MMP12 1046/4885
US-20160264536-A1 HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A CTSS 2706/4885CTSK 3442/4885MMP12 590/4885
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR CTSS 3908/4885CTSK 2891/4885MMP12 4593/4885
US-20160159808-A1 HETEROCYCLIC COMPOUND PDE2A, PDE3A, PDE5A CTSS 3389/4885CTSK 3876/4885MMP12 719/4885
US-10017508-B2 Nitrogenated heterocyclic compound PDE2A, PDE5A, PDE3A CTSS 3386/4885CTSK 4139/4885MMP12 1046/4885
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A CTSS 4504/4885CTSK 4783/4885MMP12 4289/4885

“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.

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