SCHEMBL1806305

SCHEMBL1806305

NS(=O)(=O)c1ccc2ccccc2c1S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.60
CA2 P00918 6/20 0.60
CA9 Q16790 5/20 0.60
LDHA P00338 1/20 0.48
CA12 O43570 4/20 0.47
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CYP2C9 P11712 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CDK2 P24941 1/20 0.40
GLO1 Q04760 1/20 0.40

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
SCHEMBL1805168 0.81 CTRB1 (0.50) CA1CA2CA9ALDH1A1CYP2A6
SCHEMBL29786464 0.80 CA1 (0.64) CA1CA2CA9LDHACA12
SCHEMBL3922877 0.78 CA1 (0.62) CA1CA2CA9LDHACA12
SCHEMBL5145547 0.77 CA1 (0.60) CA1CA2CA9LDHACA12
SCHEMBL18095563 0.77 CA1 (0.60) CA1CA2CA9LDHACA12
SCHEMBL8419693 0.77 CA2 (0.60) CA1CA2CA9LDHACA12
SCHEMBL1806301 0.77 CA1 (0.60) CA1CA2CA9LDHACA12
SCHEMBL5012398 0.76 ERN1 (0.59) CA1CA2CA9LDHACA12
SCHEMBL28464 0.75 CA2 (1.00) CA1CA2CA9LDHACA12
SCHEMBL29529240 0.75 CA2 (1.00) CA1CA2CA9LDHACA12

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.