SCHEMBL4245265

SCHEMBL4245265

C[S+]([O-])c1ccc(-c2ccccc2C2(C3CCN(C(=O)OC(C)(C)C)CC3)OC=CO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
KDM1A O60341 1/20 0.39
PDK2 Q15119 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
USP30 Q70CQ3 1/20 0.38
STS P08842 1/20 0.36

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
SCHEMBL4240541 0.88 RORC (0.43) GPR119PTPN2PTPN1PTPN6PDK2
SCHEMBL4240559 0.87 GPR119 (0.51) GPR119
SCHEMBL4241776 0.86 GPR119 (0.50) GPR119PTPN2PTPN1PTPN6KDM1A
SCHEMBL4241249 0.85 GPR119 (0.51) GPR119PTPN2PTPN1PTPN6
SCHEMBL4245263 0.78 GPR119 (0.44) GPR119PTPN2PTPN1PTPN6KDM1A
SCHEMBL4244972 0.75 GPR119 (0.52) GPR119
SCHEMBL4175718 0.72 NAMPT (0.56) GPR119PTPN2PTPN1PTPN6KDM4E
SCHEMBL3485674 0.69 GPR119 (0.72) GPR119PTPN2PTPN1PTPN6
SCHEMBL2566796 0.67 FAAH (0.50) GPR119PTPN2PTPN1PTPN6
SCHEMBL4938026 0.67 MAPT (0.64) GPR119PDK2

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 207/4885PTPN2 1136/4885PTPN1 1609/4885

“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.