SCHEMBL1807607

SCHEMBL1807607

NS(=O)(=O)c1cc(Cl)ccc1CCCCO

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.47
PTGES2 Q9H7Z7 9/20 0.44
CA1 P00915 2/20 0.40
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL1807081 0.95 CA2 (0.51) CA2PTGES2CA1CA12CA3
SCHEMBL1807035 0.89 PTGES2 (0.44) CA2PTGES2CA1CA12CA3
SCHEMBL1809167 0.86 CA2 (0.38) CA2PTGES2
SCHEMBL1807605 0.86 PTGES2 (0.42) CA2PTGES2CA1CA12CA3
SCHEMBL1807079 0.84 PTGES2 (0.43) CA2PTGES2CA1CA12CA3
SCHEMBL1803166 0.83 CA2 (0.63) CA2CA1CA12CA4CA6
SCHEMBL1806672 0.82 CA1 (0.46) CA2PTGES2CA1CA12CA3
SCHEMBL1805115 0.81 CA2 (0.42) CA2
SCHEMBL1807032 0.80 PTGES2 (0.45) CA2PTGES2CA1CA12CA3
SCHEMBL5622494 0.80 PTGES2 (0.45) CA2PTGES2CA1CA12CA3

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 1279/4885PTGES2 3086/4885CA1 798/4885

“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.