SCHEMBL1806212

SCHEMBL1806212

COc1c(CO)cc(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC2A1 P11166 3/20 0.32
PTGS2 P35354 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ING2 Q9H160 1/20 0.31

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
SCHEMBL1802446 0.89 MAPT (0.41) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL1802803 0.89 MAPT (0.41) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL1806209 0.87 LCK (0.32) MAPTSLC2A1LCKFYNSMN1; SMN2
SCHEMBL1805065 0.85 LOXL2 (0.33) SLC2A1LCKFYNSMN1; SMN2ALDH1A1
SCHEMBL1805061 0.85 SLC2A1 (0.31) SLC2A1LCKFYNSMN1; SMN2ING2
SCHEMBL8505638 0.79 MAPT (0.42) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1807484 0.79 APEX1 (0.43) MAPTPTGS2SMN1; SMN2KDM4E
SCHEMBL1809351 0.77 LCK (0.34) LCKFYNSMN1; SMN2ALDH1A1HPGD
SCHEMBL1807822 0.77 CA2 (0.35) SLC2A1PTGS2KDM4E
SCHEMBL1807662 0.77 CA2 (0.38) PTGS2SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 MAPT 2252/4885PDE4A 4675/4885PDE4B 4722/4885

“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.