SCHEMBL1807682

SCHEMBL1807682

Cc1c(S(N)(=O)=O)ccc(CCO)c1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CA2 P00918 9/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
LRRK2 Q5S007 1/20 0.33
PDIA6 Q15084 1/20 0.33
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
LDHA P00338 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
SCHEMBL1805714 0.90 CA2 (0.40) ALDH1A1CA2CA12CA1CA9
SCHEMBL1803798 0.89 MEN1 (0.33) CA2CA12CA1CA9CA4
SCHEMBL1808646 0.88 CA2 (0.38) ALDH1A1CA2CA12CA1CA9
SCHEMBL1807681 0.88 ALDH1A1 (0.38) ALDH1A1LRRK2PDIA6GAALMNA
SCHEMBL1804331 0.87 ALDH1A1 (0.40) ALDH1A1CA2CA12CA1CA9
SCHEMBL1804329 0.85 ALDH1A1 (0.41) ALDH1A1CA2CA12CA1CA9
SCHEMBL1803662 0.77 ALDH1A1 (0.41) ALDH1A1CA2CA12CA1CA9
SCHEMBL28184582 0.76 ALDH1A1 (0.51) ALDH1A1CA2CA12CA1CA9
SCHEMBL1803796 0.76 MEN1 (0.33) FABP3FABP4FABP5
SCHEMBL1806647 0.76 CA2 (0.41) ALDH1A1CA2CA12CA1CA9

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 218/4885CA2 1279/4885CA12 1243/4885

“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.