SCHEMBL3977929

SCHEMBL3977929

CS(=O)(=O)c1ccc(-c2ccc(COC3CCNCC3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR4 Q13639 1/20 0.41
MLNR O43193 3/20 0.40
CYP2D6 P10635 1/20 0.40
CTSC P53634 1/20 0.38
PLAT P00750 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
GPR183 P32249 1/20 0.38
PTGS2 P35354 3/20 0.38
RORC P51449 1/20 0.37
ALOX5AP P20292 1/20 0.37

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
SCHEMBL4048433 0.84 RORC (0.41) PLATPTGS2RORCKDM1APTGS1
SCHEMBL3988442 0.82 GPR119 (0.44) GPR119GPR183
SCHEMBL3981166 0.79 PTGS2 (0.41) PLATGPR119PTGS2KDM1APTGS1
SCHEMBL5079948 0.79 RORC (0.41) CYP4F2CYP4A11SLC6A2SLC6A4SLC6A3
SCHEMBL5079994 0.79 RORC (0.41) CYP4F2CYP4A11SLC6A2SLC6A4SLC6A3
SCHEMBL14191011 0.78 GPR119 (0.60) GPR119
SCHEMBL5082147 0.77 RORC (0.44) SLC6A2SLC6A4SLC6A3MLNRCYP2D6
SCHEMBL3982299 0.77 ALDH1A1 (0.41) GPR119GPR183PTGS2PTGS1
SCHEMBL385101 0.76 GPR183 (0.58) CYP4F2CYP4A11SLC6A2SLC6A4HTR3A
SCHEMBL5082880 0.75 DRD3 (0.41) SLC6A2SLC6A4SLC6A3MLNRCYP2D6

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 disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US 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
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 CYP4F2 674/4885CYP4A11 147/4885SLC6A2 741/4885

“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.