SCHEMBL1803263

SCHEMBL1803263

Cc1cc(S(N)(=O)=O)cc(S(=O)(=O)O)c1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 5/20 0.41
CA12 O43570 4/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA5B Q9Y2D0 3/20 0.41
APEX1 P27695 2/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL1807674 0.90 APEX1 (0.44) CA2CA1CA9CA12CA4
SCHEMBL1806179 0.89 ALDH1A1 (0.35) CA2CA1CA9CA12CA4
SCHEMBL1803259 0.88 APEX1 (0.38) CA2CA1CA9CA12CA4
SCHEMBL1806711 0.88 CA2 (0.38) CA2CA1CA9CA12CA4
SCHEMBL1805685 0.87 APEX1 (0.40) CA2CA1CA9CA12CA4
SCHEMBL1805682 0.84 APEX1 (0.40) CA2CA1CA9CA12CA4
SCHEMBL1803299 0.78 CA2 (0.41) CA2CA1CA9CA12CA4
SCHEMBL1804852 0.78 ALDH1A1 (0.47) CA2CA1CA9CA12CA4
SCHEMBL1806657 0.77 APEX1 (0.47) CA2CA1CA9CA12CA4
SCHEMBL1806176 0.76 ALDH1A1 (0.33) CYP2C19LMNACYP2C9POLBALDH1A1

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 798/4885CA9 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.