SCHEMBL3979497

SCHEMBL3979497

CS(=O)(=O)c1ccc(-c2ccc(CN(CC#N)C3CCN(C(=O)O)CC3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.45
CTSC P53634 1/20 0.39
RORC P51449 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
STAT3 P40763 1/20 0.35
KCNH2 Q12809 1/20 0.35
USP30 Q70CQ3 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
TNF P01375 1/20 0.34

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
SCHEMBL3979661 0.89 GPR119 (0.49) GPR119RORCKCNH2
SCHEMBL14190974 0.88 GPR119 (0.60) GPR119
SCHEMBL3979575 0.87 GPR119 (0.45) GPR119RORCPIK3CAMTORTNF
SCHEMBL3982755 0.87 GPR119 (0.45) GPR119RORCPIK3CAMTORSTAT3
SCHEMBL3987221 0.87 GPR119 (0.45) GPR119RORCPIK3CAMTORSTAT3
SCHEMBL3981709 0.86 RORC (0.47) GPR119RORC
SCHEMBL3981545 0.86 GPR119 (0.45) GPR119RORCPIK3CAMTORSTAT3
SCHEMBL3982912 0.86 GPR119 (0.46) GPR119RORCSTAT3KCNH2
SCHEMBL3984054 0.85 GPR119 (0.48) GPR119RORCPIK3CAMTORSTAT3
SCHEMBL3980193 0.85 GPR119 (0.50) GPR119RORCPIK3CAMTORSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP claimed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 GPR119 1/4885CTSC 1976/4885RORC 154/4885

“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.