SCHEMBL3655779

SCHEMBL3655779

COc1ccc(S(=O)(=O)c2sc(CN(C)C(=O)O)nc2-c2cccnc2F)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
MAPK1 P28482 3/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
ROCK2 O75116 1/20 0.35
GAA P10253 1/20 0.35
NAMPT P43490 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.34
HSD17B1 P14061 1/20 0.34

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
SCHEMBL3648852 0.88 NFE2L2 (0.39) POLBKMT2AMEN1NAMPTTAS2R14
SCHEMBL4139202 0.86 DHODH (0.35) MAPK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL4127577 0.86 HTR6 (0.38)
SCHEMBL4130442 0.85 KMT2A (0.38) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4118448 0.84 DHODH (0.33) ROCK2
SCHEMBL4125426 0.84 HTR2A (0.37) KMT2AMEN1PTGDR2
Hydrochloric Acid SCHEMBL3650422 0.83 MEN1 (0.39) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4131238 0.83 NAMPT (0.37) POLBNAMPTTAS2R14
SCHEMBL4125986 0.82 ALDH1A1 (0.40) MAPK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3653891 0.80 ALDH1A1 (0.36) MAPK1POLBALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 PDE4A 826/4885PDE4B 399/4885PDE4C 729/4885

“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.