SCHEMBL4523935

SCHEMBL4523935

CC(C)(C)OC(=O)N1CCC(c2ccccc2S(=O)(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.53
STS P08842 4/20 0.51
NAMPT P43490 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
PKM P14618 1/20 0.48
PTPRB P23467 1/20 0.47
PTPN11 Q06124 1/20 0.47
SCN9A Q15858 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46

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
SCHEMBL3436365 0.84 GPR119 (0.58) GPR119NAMPTKDM4EMAPTTHRB
SCHEMBL21953943 0.83 GPR119 (0.56) GPR119STSNAMPTKDM4EMAPT
SCHEMBL1613087 0.83 GPR119 (0.56) GPR119STSNAMPTKDM4EMAPT
SCHEMBL21885666 0.82 GPR119 (0.55) GPR119STSNAMPTKDM4EMAPT
SCHEMBL21885670 0.82 GPR119 (0.55) GPR119STSNAMPTKDM4EMAPT
SCHEMBL21352374 0.82 GPR119 (0.55) GPR119STSNAMPTKDM4EMAPT
SCHEMBL30436819 0.82 GPR119 (0.55) GPR119STSNAMPTKDM4EMAPT
SCHEMBL2160640 0.82 MEN1 (0.57) GPR119STSNAMPTKDM4EMAPT
SCHEMBL73493 0.82 GPR119 (0.55) GPR119STSNAMPTKDM4EMAPT
SCHEMBL30534946 0.82 GPR119 (0.55) GPR119STSNAMPTKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557112-B2 Aromatic-ring-fused pyrimidine derivative ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20070249587-A1 Aromatic-Ring-Fused Pyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-10-25 US disclosed
EP-1806347-A1 AROMATIC-RING-FUSED PYRIMIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2007-07-11 EP 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-20070249587-A1 Aromatic-Ring-Fused Pyrimidine Derivative GPR119, NOD1, IRS1 GPR119 1/4885STS 2201/4885NAMPT 527/4885

“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.