SCHEMBL5638640

SCHEMBL5638640

COC(=O)N1CCCC[C@@H](NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
GAA P10253 2/20 0.46
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
EPHX1 P07099 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CTSK P43235 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PDE4B Q07343 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL5637243 0.89 F2 (0.43) NAAAGAAF2F10PRSS1
SCHEMBL5640189 0.88 GAA (0.44) NAAAGAAF2F10PRSS1
SCHEMBL5638007 0.88 GAA (0.44) NAAAGAAF2F10PRSS1
SCHEMBL5639417 0.87 F2 (0.43) NAAAGAAF2F10PRSS1
SCHEMBL5638689 0.87 F2 (0.48) NAAAGAAF2F10PRSS1
SCHEMBL14515770 0.86 F2 (0.42) NAAAGAAF2F10PRSS1
SCHEMBL5637298 0.86 F2 (0.42) NAAAGAAF2F10PRSS1
SCHEMBL5641720 0.85 F2 (0.42) GAAF2F10PRSS1EPHX1
SCHEMBL5637328 0.85 F2 (0.42) NAAAGAAF2F10PRSS1
SCHEMBL5637393 0.85 GAA (0.44) GAAF2F10PRSS1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 NAAA 3017/4885GAA 4333/4885F2 4543/4885

“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.