SCHEMBL1807705

SCHEMBL1807705

CC(C)c1ccc(S)c(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
RNASEH1 O60930 1/20 0.38
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
TYR P14679 3/20 0.37
ALDH1A1 P00352 10/20 0.36
HTT P42858 3/20 0.36
ALOX12 P18054 2/20 0.36
GAA P10253 1/20 0.36
HIF1A Q16665 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MDM4 O15151 1/20 0.34
CA1 P00915 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
SCHEMBL1805045 0.81 ALDH1A1 (0.40) RNASEH1TRPA1PTGS1CACNA1CTYR
SCHEMBL393740 0.79 PTGS1 (0.52) FABP3FABP4FABP5RNASEH1TRPA1
SCHEMBL30026088 0.79 PTGS1 (0.52) FABP3FABP4FABP5RNASEH1TRPA1
SCHEMBL8370451 0.79 RNASEH1 (0.52) FABP3FABP4FABP5RNASEH1TRPA1
SCHEMBL11400623 0.79 FABP3 (0.53) FABP3FABP4FABP5RNASEH1TRPA1
SCHEMBL1365450 0.78 ALDH1A1 (0.48) FABP3FABP4FABP5RNASEH1TRPA1
SCHEMBL1807701 0.78 FABP3 (0.43) FABP3FABP4FABP5RNASEH1TRPA1
SCHEMBL23902135 0.76 FABP3 (0.46) FABP3FABP4FABP5RNASEH1TRPA1
SCHEMBL13350337 0.76 FABP3 (0.42) FABP3FABP4FABP5RNASEH1TRPA1
SCHEMBL11400620 0.76 FABP3 (0.58) FABP3FABP4FABP5RNASEH1TRPA1

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 FABP3 4762/4885FABP4 4636/4885FABP5 4384/4885

“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.