SCHEMBL4596762

SCHEMBL4596762

CC(C)(C)OC(=O)N[C@@H](CN)c1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
PTPRB P23467 6/20 0.42
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37

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
SCHEMBL14923678 1.00 CTSS (0.47) CTSSCTSKPTPRBALOX5MAPT
SCHEMBL4789660 0.87 CTSS (0.48) CTSSCTSKPTPRBCA1CA2
SCHEMBL4600416 0.87 CTSS (0.48) CTSSCTSKPTPRBCA1CA2
SCHEMBL1096245 0.87 CTSS (0.48) CTSSCTSKPTPRBCA1CA2
SCHEMBL1095180 0.85 CTSK (0.46) CTSSCTSKPTPRBMAPTCA1
SCHEMBL14923679 0.85 CTSS (0.46) CTSSCTSKPTPRBMAPTCA1
SCHEMBL1105001 0.85 CTSK (0.49) CTSSCTSKPTPRBMAPTMEN1
SCHEMBL20281032 0.85 CTSS (0.46) CTSSCTSKPTPRBMAPTCA1
SCHEMBL1105017 0.84 CTSK (0.48) CTSSCTSKPTPRBMAPTATM
SCHEMBL13536928 0.84 CTSK (0.46) CTSSCTSKPTPRBMAPTCA1

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CTSS 2298/4885CTSK 2622/4885PTPRB 396/4885

“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.