SCHEMBL5572702

SCHEMBL5572702

O=C(O)c1ccc(Sc2ncc(CN3CCC(N4C(=O)N(c5ccc(F)cc5)CC4c4ccccc4)CC3)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.61
CCR4 P51679 2/20 0.58
F10 P00742 1/20 0.40
HPN P05981 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HGFAC Q04756 1/20 0.40
ST14 Q9Y5Y6 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
SCHEMBL5572697 1.00 CCR5 (0.61) CCR5CCR4F10HPNPRSS1
SCHEMBL5575344 0.86 CCR5 (0.58) CCR5CCR4
SCHEMBL5575335 0.86 CCR5 (0.58) CCR5CCR4
SCHEMBL5576548 0.84 CCR5 (0.62) CCR5CCR4
SCHEMBL5576539 0.84 CCR5 (0.62) CCR5CCR4
SCHEMBL5576659 0.83 CCR5 (0.71) CCR5CCR4
SCHEMBL5576655 0.83 CCR5 (0.71) CCR5CCR4
SCHEMBL14614476 0.81 CCR5 (0.47) CCR5CCR4
SCHEMBL5575566 0.80 CCR5 (0.58) CCR5CCR4
SCHEMBL5575576 0.80 CCR5 (0.58) CCR5CCR4

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 CCR5 1/4885CCR4 2/4885F10 4443/4885

“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.