SCHEMBL1804564

SCHEMBL1804564

COc1cc(S)ccc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MPL P40238 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ MEP1B Q16820 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CDC25A P30304 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NPBWR1 P48145 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL1806876 0.85 GSK3B (0.46) ALDH1A1LMNAMAPTKMT2AMPL
SCHEMBL154426 0.81 ALDH1A1 (0.43) ALDH1A1TRPV4LMNAMAPTKMT2A
SCHEMBL1804742 0.81 PKM (0.53) ALDH1A1TRPV4MAPTPKMSMN1; SMN2
SCHEMBL669063 0.79 GAA (0.54) ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL6367227 0.79 MCOLN3 (0.55) ALDH1A1TRPV4LMNAMAPTKMT2A
SCHEMBL10886281 0.79 TSHR (0.50) ALDH1A1TRPV4LMNAMAPTKMT2A
SCHEMBL4072806 0.79 MAOB (0.53) ALDH1A1TRPV4LMNAMAPTKMT2A
SCHEMBL1804562 0.79 TRPV4 (0.44) ALDH1A1TRPV4LMNAMAPTKMT2A
SCHEMBL154427 0.78 ALDH1A1 (0.51) ALDH1A1TRPV4LMNAMAPTKMT2A
SCHEMBL10740495 0.78 GAA (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2GAA

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 ALDH1A1 218/4885TRPV4 2892/4885LMNA 1431/4885

“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.

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