SCHEMBL2856841

SCHEMBL2856841

CC(C)(C)OC(=O)NC(CCCCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.61
CTSS P25774 3/20 0.60
PPARA Q07869 5/20 0.58
PPARG P37231 4/20 0.58
ACE P12821 1/20 0.57
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
PPARD Q03181 2/20 0.53

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
SCHEMBL2856837 1.00 CTSK (0.61) CTSKCTSSPPARAPPARGACE
SCHEMBL23177045 0.99 CTSK (0.60) CTSKCTSSPPARAPPARGACE
SCHEMBL23176943 0.99 CTSK (0.60) CTSKCTSSPPARAPPARGACE
SCHEMBL24814889 0.99 CTSK (0.60) CTSKCTSSPPARAPPARGACE
SCHEMBL24814896 0.99 CTSK (0.60) CTSKCTSSPPARAPPARGACE
SCHEMBL1374859 0.96 CTSK (0.63) CTSKCTSSPPARAPPARGACE
SCHEMBL346311 0.96 CTSK (0.63) CTSKCTSSPPARAPPARGACE
SCHEMBL2781406 0.96 CTSK (0.63) CTSKCTSSPPARAPPARGACE
SCHEMBL181807 0.91 CTSK (0.71) CTSKCTSSPPARAPPARGACE
SCHEMBL181775 0.91 CTSK (0.71) CTSKCTSSPPARAPPARGACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750162-B2 Process for preparation of nonnatural amino acid and intermediate thereof DAISO CO., LTD. (JP) 2010-07-06 US disclosed
US-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof DAISO CO., LTD. (JP) 2007-09-06 US disclosed
EP-1739077-A1 PROCESS FOR PRODUCTION OF NONNATURAL AMINO ACIDS AND INTERMEDIATES THEREFOR DAISO CO., LTD. (JP) 2007-01-03 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 (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-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof BCAT1, BCAT2, AADAT CTSK 3187/4885CTSS 2807/4885PPARA 2299/4885

“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.