SCHEMBL9937431

SCHEMBL9937431

CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@@H](C2CCNCC2)O3)nc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.47
PTGS2 P35354 1/20 0.42
RORC P51449 1/20 0.37
CTSC P53634 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MLNR O43193 2/20 0.36
PLAT P00750 1/20 0.36
CYP2D6 P10635 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
SCHEMBL9937229 1.00 GPR119 (0.47) GPR119PTGS2RORCCTSCPIM1
SCHEMBL9937230 1.00 GPR119 (0.47) GPR119PTGS2RORCCTSCPIM1
SCHEMBL9936211 0.87 GPR119 (0.45) GPR119PTGS2RORCPLAT
SCHEMBL14575979 0.86 GPR119 (0.42) GPR119PTGS2RORCPLAT
SCHEMBL14575847 0.86 GPR119 (0.42) GPR119PTGS2RORCPLAT
SCHEMBL9936020 0.86 GPR119 (0.42) GPR119PTGS2RORCPLAT
Hydrochloric Acid SCHEMBL15007649 0.86 GPR119 (0.45) GPR119PTGS2RORCPLAT
SCHEMBL9942315 0.80 GPR119 (0.59) GPR119
SCHEMBL9936204 0.80 GPR119 (0.59) GPR119
SCHEMBL9942370 0.80 GPR119 (0.59) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651931-B1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2015-08-19 EP disclosed
EP-2651931-B1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2015-08-19 EP disclosed
US-8669271-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-11 US disclosed
US-8669271-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-11 US disclosed
US-8669271-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-11 US disclosed
EP-2651931-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2013-10-23 EP disclosed
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012080476-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed
WO-2012080476-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof GPR119, GPR3, MRGPRX2 GPR119 1/4885PTGS2 1699/4885RORC 647/4885

“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.