SCHEMBL1804647

SCHEMBL1804647

Cc1c(S(=O)(=O)O)ccc(C[O])c1S(N)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDIA6 Q15084 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
MYC P01106 1/20 0.31
BRD4 O60885 1/20 0.31
TP53 P04637 1/20 0.31
CREBBP Q92793 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31

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
SCHEMBL1808645 0.89 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL1804650 0.88 CA2 (0.34) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL1804997 0.87 MEN1 (0.36) MEN1KMT2ALMNAHPGDHIF1A
SCHEMBL1803660 0.87 ALDH1A1 (0.40) ALDH1A1LMNAPDIA6CA12CA1
SCHEMBL1804329 0.86 ALDH1A1 (0.41) ALDH1A1LMNAPDIA6CA12CA1
SCHEMBL1808646 0.85 CA2 (0.38) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL1803662 0.77 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10PDIA6CA12
SCHEMBL1804771 0.77 MEN1 (0.34) MEN1KMT2AMYC
SCHEMBL1805713 0.76 ALDH1A1 (0.37) ALDH1A1LMNAPDIA6CA12CA1
SCHEMBL1803796 0.76 MEN1 (0.33) MEN1KMT2AMYC

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 218/4885MEN1 592/4885KMT2A 1224/4885

“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.