SCHEMBL4597438

SCHEMBL4597438

CC(C)(C)OC(=O)NC(CN)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.48
S1PR3 Q99500 1/20 0.46
ROCK2 O75116 2/20 0.45
AURKA O14965 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
PHGDH O43175 1/20 0.42
MAPT P10636 1/20 0.41
CHEK1 O14757 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK1 P28482 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40

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
SCHEMBL4597836 1.00 CTSL (0.48) CTSLS1PR3ROCK2AURKACTSS
SCHEMBL19731347 1.00 CTSL (0.48) CTSLS1PR3ROCK2AURKACTSS
SCHEMBL21848092 0.90 CTSL (0.47) CTSLS1PR3CTSSCTSKMAPT
SCHEMBL29840672 0.90 CTSL (0.50) CTSLS1PR3CTSSCTSKPHGDH
SCHEMBL4597970 0.90 CTSL (0.50) CTSLS1PR3CTSSCTSKPHGDH
SCHEMBL16690741 0.90 CTSL (0.50) CTSLS1PR3CTSSCTSKPHGDH
SCHEMBL5575604 0.90 CTSL (0.50) CTSLS1PR3CTSSCTSKPHGDH
SCHEMBL30879991 0.88 DCAF1 (0.53) CTSLS1PR3CTSSCTSKDCAF1
SCHEMBL27955102 0.87 CTSL (0.48) CTSLS1PR3ROCK2CTSSCTSK
SCHEMBL17691230 0.87 CTSL (0.48) CTSLS1PR3CTSSCTSKMAPT

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 CTSL 1387/4885S1PR3 68/4885ROCK2 1733/4885

“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.