SCHEMBL4241366

SCHEMBL4241366

CC(CCN)N1CCC(C2(c3cc(F)ccc3-c3ccc(S(C)(=O)=O)cc3)OC=CO2)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.38
PTGS1 P23219 6/20 0.37
DPP4 P27487 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL4236297 0.88 PTGS2 (0.36) PTGS2PTGS1HTR1AHTR7
SCHEMBL4241263 0.86 SYK (0.35) DPP4
SCHEMBL4247925 0.86 CCR5 (0.36) PTGS2PTGS1DPP4
SCHEMBL4240488 0.81 CCR5 (0.51)
SCHEMBL4242886 0.79 CCR5 (0.36) PTGS2PTGS1DPP4
SCHEMBL4241361 0.78 CCR5 (0.40) PTGS2PTGS1DPP4HTR1AHTR7
SCHEMBL4244972 0.76 GPR119 (0.52)
SCHEMBL4243373 0.74 SIGMAR1 (0.36) HTR1AHTR7
SCHEMBL4240052 0.74
SCHEMBL4239109 0.74 CCR5 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 PTGS2 1741/4885PTGS1 1100/4885DPP4 2004/4885

“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.