SCHEMBL5575575

SCHEMBL5575575

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 10/20 0.57
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CTSL P07711 1/20 0.47
S1PR1 P21453 4/20 0.43
S1PR4 O95977 3/20 0.43
S1PR2 O95136 3/20 0.43
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
ITGA5 P08648 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
SLC6A4 P31645 1/20 0.39
CHRNA3 P32297 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH1 P35367 1/20 0.39
CHRNA7 P36544 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL31749408 0.89 S1PR3 (0.58) S1PR3CTSSCTSKCTSLS1PR1
SCHEMBL30370359 0.86 S1PR3 (0.55) S1PR3CTSSCTSKCTSLS1PR1
SCHEMBL5576749 0.86 S1PR3 (0.55) S1PR3CTSSCTSKCTSLS1PR1
SCHEMBL26148553 0.86 S1PR3 (0.55) S1PR3CTSSCTSKCTSLS1PR1
SCHEMBL219211 0.86 S1PR3 (0.55) S1PR3CTSSCTSKCTSLS1PR1
SCHEMBL17664004 0.85 S1PR3 (0.54) S1PR3CTSSCTSKCTSLS1PR1
SCHEMBL4598598 0.84 S1PR3 (0.49) S1PR3S1PR1S1PR4S1PR2CHRNA1
SCHEMBL5575578 0.84 S1PR3 (0.53) S1PR3CTSSCTSKCTSLTRPA1
SCHEMBL4598036 0.84 CTSK (0.67) S1PR3CTSSCTSKCTSL
SCHEMBL4598033 0.84 CTSK (0.67) S1PR3CTSSCTSKCTSL

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-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 S1PR3 68/4885CTSS 2298/4885CTSK 2622/4885

“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.