SCHEMBL4600416

SCHEMBL4600416

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.48
CTSK P43235 4/20 0.48
PTPRB P23467 6/20 0.43
RIPK1 Q13546 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
ATM Q13315 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL4789660 1.00 CTSS (0.48) CTSSCTSKPTPRBRIPK1CA1
SCHEMBL1096245 1.00 CTSS (0.48) CTSSCTSKPTPRBRIPK1CA1
SCHEMBL1095180 0.89 CTSK (0.46) CTSSCTSKPTPRBCA1CA2
SCHEMBL4596762 0.87 CTSS (0.47) CTSSCTSKPTPRBCA1CA2
SCHEMBL14923678 0.87 CTSS (0.47) CTSSCTSKPTPRBCA1CA2
SCHEMBL14923679 0.86 CTSS (0.46) CTSSCTSKPTPRBCA1CA2
SCHEMBL1105001 0.86 CTSK (0.49) CTSSCTSKPTPRBATMCTSL
SCHEMBL20281032 0.86 CTSS (0.46) CTSSCTSKPTPRBCA1CA2
SCHEMBL1105017 0.85 CTSK (0.48) CTSSCTSKPTPRBATMCHRNB2
SCHEMBL1096309 0.85 CTSS (0.57) CTSSCTSKPTPRBCTSLCTSB

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.