SCHEMBL143952

SCHEMBL143952

COc1cc(C2=NNC(=O)SC2C)ccc1OC(F)(F)CF

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.47
PDE4B Q07343 15/20 0.47
PDE4C Q08493 15/20 0.47
PDE4D Q08499 15/20 0.47
PDE3B Q13370 10/20 0.47
PDE3A Q14432 10/20 0.47
KCNH2 Q12809 1/20 0.46
FBP1 P09467 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
SCHEMBL143191 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL146902 0.88 GPR119 (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL143233 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL143156 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL146316 0.78 GPR119 (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL143231 0.77 GPR119 (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9206368 0.77 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL146390 0.76 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL143942 0.75 GPR119 (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7800478 0.73 GPR119 (0.47) PDE4APDE4BPDE4CPDE4DPDE3B

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 10 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-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
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 PDE4A 1401/4885PDE4B 1040/4885PDE4C 1797/4885
US-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4A 1/4885PDE4B 4/4885PDE4C 5/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 PDE4A 1401/4885PDE4B 1040/4885PDE4C 1797/4885
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885

“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.