SCHEMBL4240449

SCHEMBL4240449

CSc1ccc(-c2ccc(F)cc2C2(C3CCN(C(=O)OC(C)(C)C)CC3)OC=CO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.47
MMP13 P45452 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
BRD3 Q15059 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
SCHEMBL4241776 0.87 GPR119 (0.50) GPR119PTPN2PTPN1PTPN6SMN1; SMN2
SCHEMBL4244972 0.87 GPR119 (0.52) GPR119MMP13
SCHEMBL4240445 0.78 GPR119 (0.49) GPR119MMP13SMN1; SMN2MEN1KMT2A
SCHEMBL4240541 0.76 RORC (0.43) GPR119PTPN2PTPN1PTPN6
SCHEMBL4240559 0.74 GPR119 (0.51) GPR119JAK2JAK3PTK2
SCHEMBL4241249 0.74 GPR119 (0.51) GPR119PTPN2PTPN1PTPN6JAK2
SCHEMBL4245265 0.74 GPR119 (0.41) GPR119PTPN2PTPN1PTPN6
SCHEMBL22585177 0.71 GPR119 (0.49) GPR119MMP13PTPN2PTPN1PTPN6
SCHEMBL4241775 0.71 GPR119 (0.54) GPR119PTPN2PTPN1PTPN6SMN1; SMN2
SCHEMBL4777861 0.68 GPR119 (0.69) GPR119PTPN2PTPN1PTPN6KMT2A

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 207/4885MMP13 1839/4885PTPN2 1136/4885

“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.