SCHEMBL7279368

SCHEMBL7279368

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.49
CTSS P25774 6/20 0.49
PPARA Q07869 7/20 0.47
PPARG P37231 6/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
ACE P12821 1/20 0.46
PPARD Q03181 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.43

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
SCHEMBL10224757 1.00 CTSK (0.49) CTSKCTSSPPARAPPARGCTSL
SCHEMBL12486933 1.00 CTSK (0.49) CTSKCTSSPPARAPPARGCTSL
SCHEMBL13019134 0.87 CTSK (0.46) CTSKCTSSCTSLCTSBCA1
SCHEMBL1486220 0.87 CTSS (0.50) CTSKCTSSPPARAPPARGCTSL
SCHEMBL688341 0.87 CTSS (0.50) CTSKCTSSPPARAPPARGCTSL
SCHEMBL3323682 0.87 CTSS (0.50) CTSKCTSSPPARAPPARGCTSL
SCHEMBL2156607 0.86 CTSS (0.47) CTSKCTSSPPARAPPARGCTSL
SCHEMBL7208742 0.86 CTSS (0.47) CTSKCTSSPPARAPPARGCTSL
SCHEMBL2156601 0.86 CTSS (0.47) CTSKCTSSPPARAPPARGCTSL
SCHEMBL13615487 0.86 CYP1A2 (0.46) CTSKCTSSCTSLCTSBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-08-31 US disclosed
US-11618746-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-04 US disclosed
EP-3897833-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2021-10-27 EP disclosed
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 EP disclosed
US-20210238162-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-05 US disclosed
US-20200377479-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmacéuticals Incorporated 2020-12-03 US disclosed
WO-2020131807-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-06-25 WO disclosed
EP-3390384-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS Astex Therapeutics Limited (GB) 2018-10-24 EP disclosed
WO-2017103851-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2017-06-22 WO disclosed
EP-2880032-A1 ARYL LACTAM KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2015-06-10 EP disclosed
WO-2014022167-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
US-6329502-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS; TREATMENT OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) JAPAN ENERGY CORPORATION (JP) 2001-12-11 US disclosed
US-6313094-B1 COMPOSITION FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION JAPAN ENERGY CORPORATION (JP) 2001-11-06 US disclosed
EP-0490667-B1 HIV protease inhibitors JAPAN ENERGY CORP (JP) 1999-06-09 EP disclosed
WO-1994021620-A1 AMINO-ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS RENIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1994-09-29 WO disclosed
EP-0490667-A2 HIV protease inhibitors JAPAN ENERGY CORPORATION (JP) 1992-06-17 EP disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 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 (4 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-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, SAAL1 CTSK 200/4885CTSS 342/4885PPARA 1837/4885
US-11618746-B2 Inhibitors of APOL1 and methods of using same APOL1, APOB, NPC1L1 CTSK 292/4885CTSS 584/4885PPARA 708/4885
US-20200377479-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, SAAL1, LOXL1 CTSK 508/4885CTSS 769/4885PPARA 1649/4885
US-20210238162-A1 CHEMICAL COMPOUNDS HPGDS, PTGS1, PTGIS CTSK 2764/4885CTSS 1168/4885PPARA 692/4885

“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.