SCHEMBL1807172

SCHEMBL1807172

Cc1ccc(S(=O)(=O)O)c(CCO)c1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 3/20 0.33
RECQL P46063 2/20 0.33
POLB P06746 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP3A4 P08684 2/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
NT5E P21589 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MYC P01106 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL1809071 0.89 CA2 (0.38) KMT2AMEN1ALDH1A1RECQLPOLB
SCHEMBL1805414 0.89 ALDH1A1 (0.38) ALDH1A1RECQLCYP3A4TP53GLA
SCHEMBL1807170 0.86 MEN1 (0.33) KMT2AMEN1ALDH1A1RECQLPOLB
SCHEMBL1806133 0.86 MEN1 (0.35) KMT2AMEN1ALDH1A1RECQLPOLB
SCHEMBL1806131 0.82 MEN1 (0.35) KMT2AMEN1ALDH1A1RECQLPOLB
SCHEMBL1805371 0.82 MEN1 (0.35) KMT2AMEN1ALDH1A1RECQLPOLB
SCHEMBL1805375 0.81 RECQL (0.35) KMT2AMEN1ALDH1A1RECQLPOLB
SCHEMBL1804966 0.79 CDC25A (0.34) KMT2AALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL1805161 0.78 CA2 (0.40) ALDH1A1GAACA12CA1CA2
SCHEMBL1806784 0.77 MYC (0.39) KMT2AMEN1ALDH1A1ESR2GAA

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 KMT2A 1224/4885MEN1 592/4885ALDH1A1 218/4885

“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.