SCHEMBL4245263

SCHEMBL4245263

C[S+]([O-])c1ccc(C2(C3CCN(C(=O)OC(C)(C)C)CC3)Oc3ccccc3O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.44
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
RORC P51449 2/20 0.40
KDM1A O60341 1/20 0.39
STS P08842 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
USP30 Q70CQ3 1/20 0.38
NAMPT P43490 1/20 0.38
CTSD P07339 1/20 0.38
CTSE P14091 1/20 0.38
BACE1 P56817 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL4240538 0.86 RORC (0.54) GPR119KDM4EPKMRORCSTS
SCHEMBL4240557 0.86 GPR119 (0.55) GPR119
SCHEMBL4241775 0.84 GPR119 (0.54) GPR119KDM4EPKMRORCKDM1A
SCHEMBL4241246 0.84 GPR119 (0.53) GPR119KDM4EPKMRORCSTS
SCHEMBL4245265 0.78 GPR119 (0.41) GPR119KDM4EPKMKDM1ASTS
SCHEMBL4175718 0.76 NAMPT (0.56) GPR119KDM4ESTSPTPN2PTPN1
SCHEMBL4244967 0.75 GPR119 (0.50) GPR119
SCHEMBL4240445 0.74 GPR119 (0.49) GPR119RORCMEN1KMT2A
SCHEMBL3485674 0.73 GPR119 (0.72) GPR119PTPN2PTPN1PTPN6
SCHEMBL12183699 0.71 GPR119 (0.48) GPR119KDM4EPKMKDM1ASTS

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 GPR119 207/4885KDM4E 4532/4885PKM 3550/4885

“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.