SCHEMBL3759870

SCHEMBL3759870

CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.56
CTSS P25774 5/20 0.56
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
PTGS2 P35354 1/20 0.46
ACE P12821 1/20 0.46
CTSB P07858 2/20 0.46
ATM Q13315 1/20 0.46
PPARD Q03181 2/20 0.45
SCN9A Q15858 1/20 0.45
CTSL P07711 1/20 0.45
S1PR3 Q99500 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
SCHEMBL27158950 1.00 CTSK (0.56) CTSKCTSSPPARAPPARGPTGS2
SCHEMBL525862 0.91 CTSK (0.66) CTSKCTSSPPARAPPARGACE
SCHEMBL264362 0.91 CTSK (0.66) CTSKCTSSPPARAPPARGACE
SCHEMBL116386 0.91 CTSK (0.66) CTSKCTSSPPARAPPARGACE
Hydrochloric Acid SCHEMBL28350663 0.89 CTSK (0.64) CTSKCTSSPPARAPPARGACE
Bromide SCHEMBL8184293 0.89 CTSK (0.64) CTSKCTSSPPARAPPARGACE
SCHEMBL13808582 0.89 CTSS (0.54) CTSKCTSSCTSBSCN9ACTSL
SCHEMBL5552871 0.86 FFAR1 (0.48) CTSKCTSSCTSBATMSCN9A
SCHEMBL15671568 0.85 CTSK (0.67) CTSKCTSSPPARAPPARGCTSB
SCHEMBL15671569 0.85 CTSK (0.67) CTSKCTSSPPARAPPARGCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4332089-A1 METHOD FOR PREPARING AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2024-03-06 EP disclosed
US-7842324-B2 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2010-11-30 US disclosed
CN-101228115-A Bis-aromatic amides and their uses as sweet flavor modifiers, tastants and taste enhancers SENOMYX INC (US) 2008-07-23 CN disclosed
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
US-20070003680-A1 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. 2007-01-04 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF CTSK 306/4885CTSS 596/4885PPARA 3641/4885

“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.