SCHEMBL1806608

SCHEMBL1806608

CC(C)(C)c1ccc([S])c(S(N)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.47
CA2 P00918 14/20 0.47
CA9 Q16790 4/20 0.47
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
CA12 O43570 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.39
PLA2G1B P04054 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1805188 0.81 ALDH1A1 (0.41) CA1CA2CA9ALDH1A1MEN1
SCHEMBL17029240 0.78 ALDH1A1 (0.57) CA1CA2CA9ALDH1A1MEN1
SCHEMBL9315757 0.78 LMNA (0.50) CA1CA2CA9ALDH1A1MEN1
SCHEMBL1523192 0.78 ALDH1A1 (0.52) CA1CA2CA9ALDH1A1MEN1
SCHEMBL27875340 0.77 CA1 (0.51) CA1CA2CA9ALDH1A1MEN1
SCHEMBL1806610 0.77 CA1 (0.47) CA1CA2CA9ALDH1A1MEN1
SCHEMBL16368631 0.77 CA1 (0.47) CA1CA2CA9ALDH1A1MEN1
SCHEMBL13687109 0.77 CA1 (0.47) CA1CA2CA9ALDH1A1MEN1
SCHEMBL1804646 0.76 KDM4E (0.52) CA1CA2CA9ALDH1A1MEN1
SCHEMBL15450300 0.76 PDIA6 (0.51) CA1CA2CA9ALDH1A1MEN1

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 CA1 798/4885CA2 1279/4885CA9 1071/4885

“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.