SCHEMBL1805896

SCHEMBL1805896

NS(=O)(=O)CCNCCS(N)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.37
CA2 P00918 8/20 0.37
CA9 Q16790 5/20 0.37
CA12 O43570 5/20 0.37
CA6 P23280 3/20 0.32
CA7 P43166 3/20 0.32
CA5B Q9Y2D0 3/20 0.32
RECQL P46063 2/20 0.32
CA14 Q9ULX7 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA4 P22748 3/20 0.31
CA5A P35218 2/20 0.31
LMNA P02545 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
CA3 P07451 1/20 0.30
ALOX15 P16050 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL10962640 0.89 CA12 (0.53) CA1CA2CA9CA12CA6
SCHEMBL3014271 0.87 CA2 (0.36) CA1CA2CA9CA12RECQL
SCHEMBL17033956 0.83
SCHEMBL901981 0.83
SCHEMBL17928520 0.78
SCHEMBL21290616 0.77 CA2 (0.45) CA2CA9CA12CA7CA14
SCHEMBL22044521 0.77 CA1 (0.44) CA1CA2
SCHEMBL1527793 0.77 CA2 (0.37) CA1CA2CA9CA12CA14
SCHEMBL3707354 0.77
SCHEMBL3094775 0.75 ANPEP (0.31)

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.