SCHEMBL141940

SCHEMBL141940

CCC1SC(=O)NN=C1c1ccc(OC)c(OCC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.46
PDE4A P27815 12/20 0.44
PDE4B Q07343 12/20 0.44
PDE4C Q08493 12/20 0.44
PDE4D Q08499 12/20 0.44
PDE3B Q13370 6/20 0.44
PDE3A Q14432 6/20 0.44
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL143008 0.96 GPR119 (0.46) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7798516 0.88 GPR119 (0.48) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7798512 0.88 GPR119 (0.49) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7802932 0.88 PDE4B (0.55) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL9259135 0.88 PDE4B (0.55) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7800478 0.87 GPR119 (0.47) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL143231 0.85 GPR119 (0.47) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7800758 0.85 GPR119 (0.48) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7798649 0.84 GPR119 (0.49) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL143229 0.83 PDE4A (0.47) GPR119PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 US claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 US disclosed
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
US-5434149-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-07-18 US disclosed
EP-0539806-B1 Thiadiazinones and medicines containing them, having in particular a positive inotropic and vasodilating activity MERCK PATENT GMBH (DE) 1995-01-04 EP disclosed
EP-0618201-A1 Thiadiazinones and their use in the treatment of cardiovascular or asthmatic conditions MERCK PATENT GmbH (DE) 1994-10-05 EP disclosed
US-5276027-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-04 US disclosed
EP-0539806-A1 Thiadiazinones and medicines containing them, having in particular a positive inotropic and vasodilating activity MERCK PATENT GmbH (DE) 1993-05-05 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 (4 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 GPR119 54/4885PDE4A 1401/4885PDE4B 1040/4885
US-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B GPR119 399/4885PDE4A 1/4885PDE4B 4/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 GPR119 54/4885PDE4A 1401/4885PDE4B 1040/4885
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof PDE4A, PDE4B, PDE4C GPR119 1780/4885PDE4A 1/4885PDE4B 2/4885

“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.