SCHEMBL1898374

SCHEMBL1898374

CC(C)(C)C(C#N)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.39
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL7241497 0.82 DPP4 (0.36) DPP4
SCHEMBL3766237 0.81 DPP4 (0.39) DPP4
SCHEMBL8409023 0.78 CA1 (0.36) DPP4CA1CA2
SCHEMBL1336381 0.77 DPP4 (0.36) DPP4
SCHEMBL25101420 0.75 DPP4 (0.35) DPP4
Bicarbonate SCHEMBL11385004 0.75 DPP4 (0.35) DPP4
SCHEMBL5516754 0.75 DPP4 (0.35) DPP4
SCHEMBL9534650 0.74 MCL1 (0.32) DPP4CA1CA2
SCHEMBL9534655 0.73 HMGCR (0.40)
SCHEMBL8049516 0.70 DPP4 (0.34) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505766-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
EP-2558099-A2 KINASE INHIBITORS The Regents Of The University Of California, San Francisco (US) 2013-02-20 EP disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 US disclosed
WO-2011060440-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 WO disclosed
US-7666898-B2 Multivalent indole compounds and use thereof as phospholipase-A2 inhibitors ILYPSA, INC. (US) 2010-02-23 US disclosed
US-20090318492-A1 INDOLE COMPOUNDS HAVING C4-ACIDIC SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. 2009-12-24 US disclosed
US-20090306171-A1 INDOLE COMPOUNDS HAVING C4-AMIDE SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. 2009-12-10 US disclosed
US-20090239896-A1 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. 2009-09-24 US disclosed
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction ILYPSA, INC. 2007-06-14 US disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
EP-0812822-B1 Process for the preparation of aminoacetic acids substituted at position alpha by a tertiary hydrocarbon chain or their nitriles HUELS CHEMISCHE WERKE AG (DE) 1999-07-28 EP disclosed
US-5831119-A Process for the preparation of aminoacetic acids with a tertiary hydrocarbon radical in the α-position, or their nitriles HUELS AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
EP-0812822-A2 Process for the preparation of aminoacetic acids substituted at position alpha by a tertiary hydrocarbon chain or their nitriles HÜLS AKTIENGESELLSCHAFT (DE) 1997-12-17 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 (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-20090318492-A1 INDOLE COMPOUNDS HAVING C4-ACIDIC SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G4A, PLA2G1B, PLA2G4B DPP4 234/4885CA1 1031/4885CA2 574/4885
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction GPR119, INMT, PNLIP DPP4 181/4885CA1 3746/4885CA2 1894/4885
US-20090239896-A1 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G5, PLA2G4A, PLA2G3 DPP4 564/4885CA1 764/4885CA2 922/4885
US-20130035325-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 DPP4 3315/4885CA1 4551/4885CA2 4264/4885
US-20150045343-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 DPP4 3315/4885CA1 4551/4885CA2 4264/4885
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors PNLIP, PLA2G2E, PLA2G3 DPP4 99/4885CA1 1335/4885CA2 608/4885
US-20090306171-A1 INDOLE COMPOUNDS HAVING C4-AMIDE SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G1B, PLA2G2E, PLA2G4A DPP4 321/4885CA1 1412/4885CA2 508/4885

“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.