SCHEMBL645778

SCHEMBL645778

CC(C)(C)OC(=O)N[C@@H](CNc1ccccc1N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.50
PPARG P37231 5/20 0.50
ACE P12821 1/20 0.49
PPARD Q03181 2/20 0.48
APP P05067 2/20 0.47
IDO1 P14902 1/20 0.47
AAK1 Q2M2I8 1/20 0.46
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
ATM Q13315 1/20 0.44

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
SCHEMBL948895 1.00 PPARA (0.50) PPARAPPARGACEPPARDAPP
SCHEMBL7758602 1.00 PPARA (0.50) PPARAPPARGACEPPARDAPP
SCHEMBL6192765 0.84 PPARA (0.47) PPARAPPARGACEPPARDAPP
SCHEMBL15620871 0.83 ACE (0.46) PPARAPPARGACEPPARDAPP
SCHEMBL21776098 0.83 CTSS (0.46) PPARAPPARGACEPPARDAPP
SCHEMBL15620873 0.83 ACE (0.46) PPARAPPARGACEPPARDAPP
SCHEMBL22687236 0.83 PPARA (0.44) PPARAPPARGACEPPARDAPP
SCHEMBL22687240 0.83 PPARA (0.44) PPARAPPARGACEPPARDAPP
SCHEMBL4072618 0.83 AAK1 (0.45) PPARAPPARGACEPPARDAPP
SCHEMBL1739279 0.83 AAK1 (0.45) PPARAPPARGACEPPARDAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344623-B2 Cholecystokinin B receptor targeting for imaging and therapy PURDUE RESEARCH FOUNDATION (US) 2022-05-31 US disclosed
US-10940154-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-09 US disclosed
US-10933070-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-02 US disclosed
US-20200384114-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2020-12-10 US disclosed
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3071562-B1 TETRAHYDRO-BENZODIAZEPINONES HOFFMANN LA ROCHE (CH) 2020-10-14 EP disclosed
US-10765756-B2 Cholecystokinin B receptor targeting for imaging and therapy PURDUE RESEARCH FOUNDATION (US) 2020-09-08 US disclosed
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
WO-2020044206-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS FOR USE IN THE TREATMENT CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-05 WO disclosed
US-6103711-A INTERLEUKIN-1 MEDIATED DISEASES; ANTIINFLAMMATORY AND -CARCINOGENIC AGENTS; AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED (US) 2000-08-15 US disclosed
US-6008217-A AN ENZYME INHIBITOR AGAINST INTERLEUKIN-1B, FOR TREATING APOPTOSIS-MEDIATED DISEASES, INCLUDING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, AND DEGENERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-28 US disclosed
US-5973111-A NOVEL COMPOUNDS THAT ARE CAPABLE OF BINDING TO THE ACTIVE SITE OF INTERLEUKIN-1B-CONVERTING ENZYME (ICE) AND INHIBITING ACTIVITY OF THAT ENZYME; ADMINISTERING TO TREAT INFLAMMATORY, AUTOIMMUNE, AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1999-10-26 US disclosed
US-5874424-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-02-23 US disclosed
US-5847135-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-12-08 US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 EP disclosed
US-5716929-A THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1998-02-10 US disclosed
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 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 (6 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-11344623-B2 Cholecystokinin B receptor targeting for imaging and therapy CCKBR, CCKAR, GRPR PPARA 1787/4885PPARG 1191/4885ACE 4000/4885
US-10765756-B2 Cholecystokinin B receptor targeting for imaging and therapy CCKBR, CCKAR, GRPR PPARA 1787/4885PPARG 1191/4885ACE 4000/4885
US-10940154-B2 Heterocyclic amides as kinase inhibitors CNKSR1, ARAF, MAP4K2 PPARA 1994/4885PPARG 1786/4885ACE 2049/4885
US-20200384114-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY CCKBR, CCKAR, GRPR PPARA 1787/4885PPARG 1191/4885ACE 4000/4885
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 PPARA 172/4885PPARG 162/4885ACE 12/4885
US-10933070-B2 Heterocyclic amides as kinase inhibitors CNKSR1, ARAF, MAP4K2 PPARA 1994/4885PPARG 1786/4885ACE 2049/4885

“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.