SCHEMBL1805307

SCHEMBL1805307

Cc1ccc(S(=O)(=O)O)c(CC[O])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
HSD17B10 Q99714 2/20 0.38
AMY1A P0DUB6 1/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
RECQL P46063 2/20 0.36
MEP1B Q16820 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CASP6 P55212 1/20 0.36
ELAVL1 Q15717 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
MYC P01106 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
MPL P40238 1/20 0.34
ESR2 Q92731 1/20 0.33

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
SCHEMBL1180196 0.91 GAA (0.41) GAAHSD17B10AMY1AALDH1A1POLB
SCHEMBL30823619 0.91 GAA (0.41) GAAHSD17B10AMY1AALDH1A1POLB
SCHEMBL11226077 0.88 GAA (0.37) GAAHSD17B10AMY1AALDH1A1POLB
SCHEMBL30723203 0.87 GAA (0.39) GAAHSD17B10AMY1AALDH1A1POLB
SCHEMBL29975298 0.87 GAA (0.39) GAAHSD17B10AMY1AALDH1A1POLB
SCHEMBL816601 0.87 GAA (0.39) GAAHSD17B10AMY1AALDH1A1POLB
SCHEMBL5718625 0.87 GAA (0.39) GAAHSD17B10AMY1AALDH1A1POLB
SCHEMBL30716894 0.87 AMY1A (0.44) GAAHSD17B10AMY1AALDH1A1POLB
SCHEMBL14991279 0.87 AMY1A (0.44) GAAHSD17B10AMY1AALDH1A1POLB
SCHEMBL3339137 0.86 HSD17B10 (0.39) GAAHSD17B10AMY1AALDH1A1POLB

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 GAA 2451/4885HSD17B10 2848/4885AMY1A 345/4885

“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.