SCHEMBL10052299

SCHEMBL10052299

CCC(C)(O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
CA1 P00915 2/20 0.32
CA7 P43166 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CA2 P00918 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL15779606 1.00 DGAT1 (0.44) DGAT1CA1CA7CA12CA14
SCHEMBL12840763 0.83 ALDH1A1 (0.36) TDP1
SCHEMBL15080955 0.83 ALDH1A1 (0.36) TDP1
SCHEMBL17801117 0.80 DGAT1 (0.44) DGAT1CA1CA7TDP1CA2
SCHEMBL26815955 0.80 DGAT1 (0.44) DGAT1CA1CA7CA12CA14
SCHEMBL9064823 0.79 TSHR (0.36)
SCHEMBL14485421 0.78 DGAT1 (0.48) DGAT1CA1CA7CA12CA14
SCHEMBL12860069 0.78 DGAT1 (0.48) DGAT1CA1CA7CA12CA14
SCHEMBL27795979 0.78 DGAT1 (0.43) DGAT1CA1CA7CA12CA14
SCHEMBL1115801 0.78 DGAT1 (0.43) DGAT1CA1CA7CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751895-B2 N-[2-(2-amino-6,6-disubstituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl)-1,3-thiazol-4-yl]amides PFIZER INC. (US) 2017-09-05 US disclosed
EP-2991989-B1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER (US) 2017-06-28 EP disclosed
US-9611264-B1 N-[2-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl] amides PFIZER INC. (US) 2017-04-04 US disclosed
US-20170088547-A1 N-[2-(3-AMINO-2,5-DIMETHYL-1,1-DIOXIDO-5,6-DIHYDRO-2H-1,2,4-THIADIAZIN-5-YL)-1,3-THIAZOL-4-YL] AMIDES PFIZER INC. (US) 2017-03-30 US disclosed
US-20170088558-A1 N-[2-(2-Amino-6,6-Disubstituted-4,4a,5,6-Tetrahydropyrano[3,4-d][1,3]Thiazin-8a(8H)-YL)-1,3-Thiazol-4-YL]Amides PFIZER INC. (US) 2017-03-30 US disclosed
WO-2017051294-A1 N-[2-(3-AMINO-2,5-DIMETHYL-1,1-DIOXIDO-5,6-DIHYDRO-2H-1,2,4-THIADIAZIN-5-YL)-1,3-THIAZOL-4-YL] AMIDES USEFUL AS BACE INHIBITORS PFIZER INC. (US) 2017-03-30 WO disclosed
WO-2017046675-A1 NOVEL IMIDAZO [4,5-C] QUINOLINE AND IMIDAZO [4,5-C][1,5] NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-03-23 WO disclosed
US-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors PFIZER INC. (US) 2017-03-16 US disclosed
US-9527831-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2016-12-27 US disclosed
EP-2498746-B1 SKIN CARE COMPOSITIONS COMPRISING PHENOXYALKYL AMINES UNILEVER PLC NO 41424 (GB) 2016-08-24 EP disclosed
US-20150005313-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2015-01-01 US disclosed
WO-2014207601-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2014-12-31 WO disclosed
US-20140343321-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-20 US disclosed
WO-2014177977-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER INC. (US) 2014-11-06 WO disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 US disclosed
EP-2594651-A1 Analysis of methylation sites Vilnius University (LT) 2013-05-22 EP disclosed
US-20120237598-A1 ANTI-CONSTIPATION COMPOSITION SUCAMPO AG (CH) 2012-09-20 US disclosed
US-8114890-B1 Anti-constipation composition SUCAMPO AG (CH) 2012-02-14 US disclosed
US-20120022152-A1 ANTI-CONSTIPATION COMPOSITION SUCAMPO AG (CH) 2012-01-26 US disclosed
US-7417067-B2 Composition and method for stabilizing the same SUCAMPO AG (CH) 2008-08-26 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-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors LRRK2, PARK7, SNCA DGAT1 4614/4885CA1 4820/4885CA7 4777/4885
US-20140329820-A1 Triazine Derivatives PDE12, PDE5A, PDE10A DGAT1 3424/4885CA1 3674/4885CA7 904/4885
US-20170088547-A1 N-[2-(3-AMINO-2,5-DIMETHYL-1,1-DIOXIDO-5,6-DIHYDRO-2H-1,2,4-THIADIAZIN-5-YL)-1,3-THIAZOL-4-YL] AMIDES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TBXA2R, TH DGAT1 3238/4885CA1 3043/4885CA7 3246/4885
US-20140343321-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism SERPINE1, PLAT, SERPINB1 DGAT1 166/4885CA1 3712/4885CA7 3953/4885
US-20170088558-A1 N-[2-(2-Amino-6,6-Disubstituted-4,4a,5,6-Tetrahydropyrano[3,4-d][1,3]Thiazin-8a(8H)-YL)-1,3-Thiazol-4-YL]Amides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A8, TBXA2R DGAT1 4359/4885CA1 2438/4885CA7 1718/4885
US-20150005313-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS SNCA, DRD1, DRD2 DGAT1 1119/4885CA1 3197/4885CA7 4495/4885
US-20120022152-A1 ANTI-CONSTIPATION COMPOSITION SLC10A2, FABP6, VIP DGAT1 1466/4885CA1 422/4885CA7 176/4885
US-20120237598-A1 ANTI-CONSTIPATION COMPOSITION SLC10A2, FABP6, VIP DGAT1 1466/4885CA1 422/4885CA7 176/4885

“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.