SCHEMBL6166

SCHEMBL6166

CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.51
CTSS P25774 2/20 0.51
GABRB1 P18505 1/20 0.45
GABRB2 P47870 1/20 0.45
MAPT P10636 1/20 0.45
PPARA Q07869 5/20 0.45
PPARG P37231 4/20 0.45
ATM Q13315 1/20 0.45
ACE P12821 1/20 0.44
PPARD Q03181 2/20 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
SCHEMBL335777 1.00 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL8886861 1.00 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL13363641 1.00 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL144832 1.00 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL767076 1.00 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL12070284 1.00 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL7087412 1.00 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
Water SCHEMBL7774670 0.98 CTSK (0.53) CTSKCTSSGABRB1GABRB2MAPT
Water SCHEMBL8011422 0.98 CTSK (0.53) CTSKCTSSGABRB1GABRB2MAPT
Water SCHEMBL766860 0.98 CTSK (0.53) CTSKCTSSGABRB1GABRB2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397376-A2 COMBINATION COMPRISING AN MEK INHIBITOR AND A B-RAF INHIBITOR Novartis AG (CH) 2024-07-10 EP disclosed
EP-3468953-B1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE IP DEV LTD (GB) 2024-05-22 EP disclosed
EP-4159205-B1 NOVEL PHARMACEUTICAL COMPOSITION NOVARTIS AG (CH) 2024-02-14 EP disclosed
EP-4159204-B1 NOVEL PHARMACEUTICAL COMPOSITION NOVARTIS AG (CH) 2024-02-14 EP disclosed
EP-3512842-B1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS INC (US) 2024-01-17 EP disclosed
WO-2023230541-A1 PIPERAZINE DERIVATIVES USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2023-11-30 WO disclosed
EP-4265300-A2 COMBINATION Novartis AG (CH) 2023-10-25 EP disclosed
US-20230295313-A1 IL1RAP BINDING PROTEINS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-09-21 US disclosed
EP-4242206-A1 CRYSTALLINE N-{(1-S)-2-AMINO-1-[(3-FLUOROPHENYL)METHYL]ETHYL}-5-CHLORO-4-(4-CHLORO-1-METHYL-1H-PYRAZOL-5-YL)-2-THIOPHENECARBOXAMIDE HYDROCHLORIDE Novartis AG (CH) 2023-09-13 EP disclosed
EP-4159204-A1 NOVEL PHARMACEUTICAL COMPOSITION Novartis AG (CH) 2023-04-05 EP disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005079192-A2 NOVEL TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2005-09-01 WO disclosed
WO-2005034873-A2 A METHOD FOR REDUCING ANTI-NEOPLASTIC AGENT INDUCED SIDE-EFFECTS SMITHKLINE BEECHAM CORPORATION (US) 2005-04-21 WO disclosed
EP-1512413-A2 Pharmaceutical combination containing a 4-quinazolineamine and another anti-neoplastic agent for the treatment of cancer GLAXO GROUP LIMITED (GB) 2005-03-09 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed
EP-1488809-A1 Pharmaceutical combination containing a 4-quinazolineamine and another anti-neoplastic agent for the treatment of cancer GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
EP-1353693-A2 PHARMACEUTICAL COMBINATION CONTAINING A 4-QUINAZOLINEAMINE AND ANOTHER ANTI-NEOPLASTIC AGENT FOR THE TREATMENT OF CANCER GLAXO GROUP LIMITED (GB) 2003-10-22 EP disclosed
EP-1289557-A2 CANCER TREATMENT COMPOSITION CONTAINING AN ANTI-NEOPLASTIC AGENT AND A PDE4 INHIBITOR GLAXO GROUP LIMITED (GB) 2003-03-12 EP disclosed
WO-2002056912-A2 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF CANCER CONTAINING A 4-QUINAZOLINEAMINE AND ANOTHER ANTI-NEOPLASTIC AGENT GLAXO GROUP LIMITED (GB) 2002-07-25 WO disclosed
WO-2001093909-A2 CANCER TREATMENT COMPOSITION CONTAINING AN ANTI-NEOPLASTIC AGENT AND A PDE4 INHIBITOR GLAXO GROUP LIMITED (GB) 2001-12-13 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 (1 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-20230295313-A1 IL1RAP BINDING PROTEINS IL1RN, IL1R1, IL1A CTSK 1902/4885CTSS 1825/4885GABRB1 573/4885

“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.