SCHEMBL4896150

SCHEMBL4896150

CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.60
CTSK P43235 5/20 0.60
ATM Q13315 1/20 0.50
PTPN1 P18031 1/20 0.50
SCN9A Q15858 10/20 0.47
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
SYK P43405 1/20 0.42
APP P05067 1/20 0.42

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
SCHEMBL30753714 1.00 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL3997764 1.00 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL17015 1.00 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL4893696 0.90 CTSS (0.50) CTSSCTSKATMPTPN1SCN9A
SCHEMBL4663069 0.90 CTSS (0.57) CTSSCTSKATMPTPN1SCN9A
SCHEMBL4922934 0.87 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL7029037 0.87 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL4922943 0.87 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL755370 0.87 CTSS (0.45) CTSSCTSK
SCHEMBL18526772 0.87 CTSS (0.45) CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486762-A Novel compound and use method and application thereof 中国医学科学院医药生物技术研究所 2024-02-02 CN disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
CN-101001841-A Tetrahydroquinolones and aza-analogues thereof useful as DPP-IV inhibitors for the treatment of diabetes ASTRAZENECA AB (SE) 2007-07-18 CN disclosed
EP-1791536-A1 1-[(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL]-PYRROLIDINE-(2R)-CARBOXYLIC ACID-BENZYL AMINE DERIVATIVES AND RELATED COMPOUNDS AS DIPEPTIDYL-PEPTIDASE IV (DPP-IV) INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-06-06 EP disclosed
EP-1786806-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-05-23 EP disclosed
EP-1758861-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-03-07 EP disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 WO disclosed
WO-2005120494-A1 1-`(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL !-PYRROLIDINE-(2R)-CARBOXILIC ACID-BENZYL AMINE DERIVATIVES AND RELATED COMPOUNDS AS DIPEPTIDYL-PEPTIDASE IV (DPP-IV) INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 WO disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 WO disclosed
WO-2005040095-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV ASTRAZENECA AB (SE) 2005-05-06 WO disclosed
EP-1406622-A4 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2005-01-19 EP disclosed
EP-1406622-A2 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES Merck & Co., Inc. (US) 2004-04-14 EP disclosed
WO-2003000181-A2 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2003-01-03 WO 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 (3 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CTSS 505/4885CTSK 426/4885ATM 4787/4885
US-20080015146-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP3 CTSS 550/4885CTSK 361/4885ATM 4682/4885
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 CTSS 2636/4885CTSK 3323/4885ATM 4439/4885

“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.