SCHEMBL846295

SCHEMBL846295

CC[C@@H](C)[C@H](N)C(=O)N1CCSC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 1.00
DPP7 Q9UHL4 10/20 1.00
DPP8 Q6V1X1 8/20 1.00
DPP9 Q86TI2 7/20 1.00

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
SCHEMBL353709 1.00 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL392505 1.00 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL12291433 1.00 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL356202 1.00 DPP4 (1.00) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL5708932 0.98 DPP4 (0.97) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL5708931 0.98 DPP4 (0.97) DPP4DPP7DPP8DPP9
Fumaric Acid SCHEMBL29353244 0.92 DPP4 (0.84) DPP4DPP7DPP8DPP9
Fumaric Acid SCHEMBL21638348 0.92 DPP4 (0.84) DPP4DPP7DPP8DPP9
SCHEMBL28071368 0.90 DPP4 (0.82) DPP4DPP7DPP8DPP9
SCHEMBL28071366 0.90 DPP4 (0.82) DPP4DPP7DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140287040-A1 Formulation NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140205663-A1 Direct Compression Formulation and Process NOVARTIS AG (CH) 2014-07-24 US disclosed
US-20140205663-A1 Direct Compression Formulation and Process NOVARTIS AG (CH) 2014-07-24 US disclosed
US-20130052239-A1 Formulation JOSHI YATINDRA (US) 2013-02-28 US disclosed
US-20120294939-A1 DIRECT COMPRESSION FORMULATION AND PROCESS KOWALSKI JAMES (US) 2012-11-22 US disclosed
US-20120149639-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS BALKAN BOERK (US) 2012-06-14 US disclosed
US-8143217-B2 Use of DPP-IV inhibitor to reduce hypoglycemic events NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20120015029-A1 DIRECT COMPRESSION FORMULATION AND PROCESS PFEFFER SABINE (DE) 2012-01-19 US disclosed
US-20110245317-A1 USE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-10-06 US disclosed
US-20110236479-A1 DIRECT COMPRESSION FORMULATION AND PROCESS NOVARTIS AG (CH) 2011-09-29 US disclosed
US-20080269311-A1 Combination of Dpp-Iv Inhibitors and Compounds Modulating 5-Ht3 and/or 5-Ht4 Receptors VILLHAUER EDWIN BERNARD 2008-10-30 US disclosed
US-20080227825-A1 Dipeptidylpeptidase IV inhibitors such as vildagliptin and metformin; tablets JOSHI YATINDRA 2008-09-18 US disclosed
US-20080221200-A1 Combination of Organic Compounds ALLISON MALCOLM 2008-09-11 US disclosed
US-20080200510-A1 Combination of Organic Compounds MILOSAVLJEVIC-RISTIC SMILJANA 2008-08-21 US disclosed
US-20080193529-A1 Direct Compression Formulation and Process KOWALSKI JAMES 2008-08-14 US disclosed
US-20080070922-A1 Combination of Organic Compounds BURKEY BRYAN 2008-03-20 US disclosed
US-20080038341-A1 Free-flowing, cohesive tableting powder for direct compressed tablet; DPP-IV inhibitor and glitazone, in unit dosage form; acceptable dissolution profile; acceptable degrees of hardness, resistance to chipping, short disintegration time KOWALSKI JAMES 2008-02-14 US disclosed
WO-2007127204-A2 METHODS AND COMPOSITIONS RELATING TO IMMUNOSTIMULATION DARA BIOSCIENCES, INC. (US) 2007-11-08 WO disclosed
US-20070254944-A1 Use of Organic Compounds NOVARTIS AG (CH) 2007-11-01 US disclosed
US-20070149451-A1 Combination of a dpp IV inhibitor and an antiobesity or appetite regulating agent HOLMES DAVID G 2007-06-28 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 (17 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-20080070922-A1 Combination of Organic Compounds GIPR, IRS1, IGF1R DPP4 14/4885DPP7 100/4885DPP8 93/4885
US-20070149451-A1 Combination of a dpp IV inhibitor and an antiobesity or appetite regulating agent GIPR, DPP4, MC4R DPP4 2/4885DPP7 9/4885DPP8 20/4885
US-20080038341-A1 Free-flowing, cohesive tableting powder for direct compressed tablet; DPP-IV inhibitor and glitazone, in unit dosage form; acceptable dissolution profile; acceptable degrees of hardness, resistance to chipping, short disintegration time DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 4/4885
US-20120015029-A1 DIRECT COMPRESSION FORMULATION AND PROCESS DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 6/4885
US-20110236479-A1 DIRECT COMPRESSION FORMULATION AND PROCESS DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 5/4885
US-20080200510-A1 Combination of Organic Compounds DPP4, DPP3, DPP9 DPP4 1/4885DPP7 5/4885DPP8 4/4885
US-20080193529-A1 Direct Compression Formulation and Process DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 4/4885
US-20080221200-A1 Combination of Organic Compounds DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 5/4885
US-20080227825-A1 Dipeptidylpeptidase IV inhibitors such as vildagliptin and metformin; tablets DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 4/4885
US-20140205663-A1 Direct Compression Formulation and Process DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 5/4885
US-20070254944-A1 Use of Organic Compounds DPP4, DPP8, DPP3 DPP4 1/4885DPP7 4/4885DPP8 2/4885
US-20140287040-A1 Formulation DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 4/4885
US-20080269311-A1 Combination of Dpp-Iv Inhibitors and Compounds Modulating 5-Ht3 and/or 5-Ht4 Receptors HTR4, DPP4, HTR3B DPP4 2/4885DPP7 20/4885DPP8 23/4885
US-20130052239-A1 Formulation DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 4/4885
US-20120294939-A1 DIRECT COMPRESSION FORMULATION AND PROCESS DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 5/4885
US-20120149639-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 5/4885
US-20110245317-A1 USE OF ORGANIC COMPOUNDS DPP4, DPP8, DPP7 DPP4 1/4885DPP7 3/4885DPP8 2/4885

“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.