SCHEMBL16458598

SCHEMBL16458598

Cc1ccccc1C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.48
CTSK P43235 8/20 0.48
TACR1 P25103 2/20 0.48
CTSL P07711 3/20 0.45
CTSB P07858 1/20 0.45
JAK2 O60674 2/20 0.44
S1PR4 O95977 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
XBP1 P17861 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 2/20 0.44
PPARA Q07869 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 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
SCHEMBL16458597 1.00 CTSS (0.48) CTSSCTSKTACR1CTSLCTSB
SCHEMBL16478949 0.91 CTSS (0.47) CTSSCTSKTACR1CTSLCTSB
SCHEMBL16459992 0.87 CTSS (0.64) CTSSCTSKTACR1CTSLCTSB
SCHEMBL28247795 0.87 CTSS (0.47) CTSSCTSKTACR1CTSLCTSB
SCHEMBL16459991 0.87 CTSS (0.64) CTSSCTSKTACR1CTSLCTSB
SCHEMBL16459632 0.85 CTSS (0.66) CTSSCTSKTACR1CTSLTP53
SCHEMBL16459631 0.85 CTSS (0.66) CTSSCTSKTACR1CTSLTP53
SCHEMBL269930 0.85 ACE (0.58) CTSSCTSKCTSLCTSBJAK2
SCHEMBL269929 0.85 ACE (0.58) CTSSCTSKCTSLCTSBJAK2
SCHEMBL873556 0.85 ACE (0.58) CTSSCTSKCTSLCTSBJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140012005-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2014-01-09 US 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-20140012005-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS BCAT1, DNPEP, BCAT2 CTSS 724/4885CTSK 2248/4885TACR1 1492/4885

“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.