SCHEMBL680333

SCHEMBL680333

C=S(C)(=O)c1ccc(Cn2nc3c(c2[S+](C)[O-])c(=O)n(C)c(=O)n3CC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 3/20 0.43
PDE2A O00408 1/20 0.43
PDE4D Q08499 1/20 0.43
GRM2 Q14416 4/20 0.37
PDE1A P54750 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE5A O76074 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PARG Q86W56 3/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL676382 0.93 PDE1B (0.48) PDE1BPDE2APDE4DGRM2PDE1A
SCHEMBL680616 0.84 PDE1B (0.44) PDE1BPDE2APDE4DGRM2PDE1A
SCHEMBL680327 0.80 SMN1; SMN2 (0.39) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL675988 0.80 DPP4 (0.38) PDE1BPDE2APDE4DGRM2PDE1A
SCHEMBL680017 0.80 PDE1B (0.41) PDE1BPDE2APDE4DGRM2PDE1A
SCHEMBL676380 0.76 PDE1B (0.49) PDE1BPDE2APDE4DGRM2PDE1A
SCHEMBL17507917 0.76 PDE2A (0.42) PDE1BPDE2APDE4DGRM2
SCHEMBL676398 0.73 PTGS2 (0.46) PDE1BPDE2APDE4DGRM2PDE1A
SCHEMBL26233338 0.71 PDE1B (0.77) PDE1BPDE2APDE4DGRM2PDE1A
SCHEMBL17507918 0.69 PDE1B (0.66) PDE1BPDE2APDE4DPDE1APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281832-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-11-17 US 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-20110281832-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 PDE1B 4855/4885PDE2A 1471/4885PDE4D 1111/4885

“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.