SCHEMBL1808645

SCHEMBL1808645

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL1804647 0.89 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL1805713 0.89 ALDH1A1 (0.37) ALDH1A1
SCHEMBL1803796 0.89 MEN1 (0.33) MEN1KMT2A
SCHEMBL1807681 0.88 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1808646 0.88 CA2 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL1804650 0.84 CA2 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL1805714 0.78 CA2 (0.40) ALDH1A1
SCHEMBL1803660 0.76 ALDH1A1 (0.40) ALDH1A1
SCHEMBL1804997 0.76 MEN1 (0.36) MEN1KMT2A
SCHEMBL1804329 0.76 ALDH1A1 (0.41) ALDH1A1

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.