SCHEMBL1808150

SCHEMBL1808150

COc1c(C[O])cccc1S(N)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.43
CA1 P00915 10/20 0.43
CA12 O43570 6/20 0.43
CA14 Q9ULX7 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.42
CA9 Q16790 8/20 0.40
CA5A P35218 3/20 0.40
CA4 P22748 3/20 0.37
CA6 P23280 2/20 0.37
CA7 P43166 2/20 0.37
CYP2C9 P11712 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
CDK2 P24941 1/20 0.37
PKM P14618 1/20 0.35

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
SCHEMBL1806547 0.87 CA2 (0.51) CA2CA1CA12CA14LMNA
SCHEMBL1808152 0.85 CDK2 (0.43) CA2CA1CA12CA14LMNA
SCHEMBL7058245 0.83 CA2 (0.48) CA2CA1CA12CA14LMNA
SCHEMBL1805297 0.83 CA12 (0.37) CA2CA1CA12CA14LMNA
SCHEMBL1806548 0.82 CA1 (0.47) CA2CA1CA12CA14LMNA
SCHEMBL12393348 0.81 TAAR1 (0.41)
SCHEMBL12393347 0.81 TAAR1 (0.41)
SCHEMBL4617735 0.81 CA2 (0.46) CA2CA1CA12CA14LMNA
SCHEMBL29469903 0.81 CA2 (0.46) CA2CA1CA12CA14LMNA
SCHEMBL1809421 0.77 CA2 (0.41) CA2CA1CA12CA14CA9

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.