SCHEMBL1806178

SCHEMBL1806178

Nc1cc(S(N)(=O)=O)ccc1S(N)(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.63
CA1 P00915 11/20 0.63
CA12 O43570 11/20 0.63
CA9 Q16790 11/20 0.63
GAA P10253 2/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
PKM P14618 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CA4 P22748 8/20 0.57
CA14 Q9ULX7 8/20 0.57
CA6 P23280 7/20 0.57

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
SCHEMBL7956783 0.85 G6PD (0.52) CA2CA1CA12CA9GAA
SCHEMBL4952927 0.82 HTR6 (0.67) CA2CA1CA12CA9GAA
SCHEMBL1807656 0.82 CA2 (0.63) CA2CA1CA12CA9GAA
SCHEMBL1911572 0.81 PKM (0.87) CA2CA1CA12CA9GAA
SCHEMBL29828429 0.81 PKM (0.87) CA2CA1CA12CA9GAA
SCHEMBL7957193 0.81 CA2 (0.52) CA2CA1CA12CA9GAA
SCHEMBL9818530 0.81 HTR6 (0.61) CA2CA1CA12CA9GAA
SCHEMBL9722812 0.79 CA2 (0.57) CA2CA1CA12CA9GAA
SCHEMBL1413156 0.79 CA2 (0.54) CA2CA1CA12CA9MAPT
SCHEMBL1809177 0.78 CA2 (0.53) CA2CA1CA12CA9GAA

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 CA2 1279/4885CA1 798/4885CA12 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.