SCHEMBL742764

SCHEMBL742764

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.50
CTSA P10619 3/20 0.49
S1PR3 Q99500 1/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
DCAF1 Q9Y4B6 1/20 0.43
EGLN2 Q96KS0 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
CYP26A1 O43174 4/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42

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
SCHEMBL31549516 1.00 CTSL (0.50) CTSLCTSAS1PR3CTSSCTSK
SCHEMBL26985458 1.00 CTSL (0.50) CTSLCTSAS1PR3CTSSCTSK
SCHEMBL742765 1.00 CTSL (0.50) CTSLCTSAS1PR3CTSSCTSK
SCHEMBL30879991 0.89 DCAF1 (0.53) CTSLCTSAS1PR3CTSSCTSK
SCHEMBL4958137 0.89 CTSL (0.49) CTSLS1PR3CTSSCTSK
SCHEMBL4597970 0.88 CTSL (0.50) CTSLS1PR3CTSSCTSKDCAF1
SCHEMBL29840672 0.88 CTSL (0.50) CTSLS1PR3CTSSCTSKDCAF1
SCHEMBL16690741 0.88 CTSL (0.50) CTSLS1PR3CTSSCTSKDCAF1
SCHEMBL5575604 0.88 CTSL (0.50) CTSLS1PR3CTSSCTSKDCAF1
SCHEMBL6778313 0.87 CYP26A1 (0.42) CTSLCTSSCTSKCYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
EP-1987035-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093515-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN LA-ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 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-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 CTSL 2302/4885CTSA 2993/4885S1PR3 105/4885

“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.