SCHEMBL1807644

SCHEMBL1807644

COc1cccc(CC[O])c1S(N)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.51
CA1 P00915 5/20 0.51
CA12 O43570 4/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 2/20 0.51
CA5A P35218 1/20 0.51
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGES2 Q9H7Z7 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACHE P22303 1/20 0.40
IDO1 P14902 2/20 0.39
AOC3 Q16853 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1804716 0.88 CA2 (0.48) CA2CA1CA12CA9CA14
SCHEMBL1807647 0.86 CA2 (0.47) CA2CA1CA12CA9CA14
SCHEMBL29469905 0.85 CA2 (0.48) CA2CA1CA12CA9CA14
SCHEMBL1805386 0.84 CA1 (0.44) CA2CA1CA12CA9CA14
SCHEMBL1804718 0.82 CA2 (0.46) CA2CA1CA12CA9CA14
SCHEMBL6807395 0.80 CA2 (0.51) CA2CA1CA12CA9CA14
SCHEMBL1808205 0.78 CA2 (0.39) CA2CA1CA12CA9CA14
SCHEMBL3772307 0.76 CA2 (0.45) CA2CA1CA12CA9CA14
SCHEMBL1805222 0.75 TAAR1 (0.64) CA2CA1CA12CA9CA14
SCHEMBL1806547 0.74 CA2 (0.51) CA2CA1CA12CA9CA14

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.