SCHEMBL1806995

SCHEMBL1806995

Cc1cc(S(=O)(=O)O)c(CO)c(S(=O)(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MYC P01106 1/20 0.36
POLB P06746 4/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RECQL P46063 2/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
TPMT P51580 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33
ELAVL1 Q15717 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL1804714 0.91 KDM4E (0.50) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL1804561 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EMYCPOLBMAPT
SCHEMBL1806993 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EMYCPOLBMAPT
SCHEMBL1806152 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EMYCPOLBMAPT
SCHEMBL1807841 0.81 KDM4E (0.57) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL1806156 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMYCPOLBMAPT
SCHEMBL1804558 0.79 KDM4E (0.36) ALDH1A1KDM4EMYCPOLBMAPT
SCHEMBL7132765 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EMYCPOLBMAPT
SCHEMBL10133606 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EMYCPOLBMAPT
SCHEMBL1808723 0.76 LCK (0.34) ALDH1A1MYCPOLBMAPTLMNA

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 218/4885KDM4E 1406/4885MYC 3750/4885

“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.