SCHEMBL1807605

SCHEMBL1807605

NS(=O)(=O)c1cc(Cl)ccc1CCCC[O]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 11/20 0.42
CA2 P00918 6/20 0.38
CA1 P00915 5/20 0.38
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MCL1 Q07820 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
SCHEMBL1807079 0.95 PTGES2 (0.43) PTGES2CA2CA1CA12CA9
SCHEMBL1807032 0.88 PTGES2 (0.45) PTGES2CA2CA1CA12CA9
SCHEMBL1807607 0.86 CA2 (0.47) PTGES2CA2CA1CA12CA9
SCHEMBL1809165 0.84 ALDH1A1 (0.36) MCL1
SCHEMBL1807081 0.84 CA2 (0.51) PTGES2CA2CA1CA12CA9
SCHEMBL1803163 0.82 CA2 (0.49) CA2CA1CA12CA9CA4
SCHEMBL5622494 0.81 PTGES2 (0.45) PTGES2CA2CA1CA12CA9
SCHEMBL1806670 0.81 PTGES2 (0.44) PTGES2CA2CA1CA12CA9
SCHEMBL1807035 0.80 PTGES2 (0.44) PTGES2CA2CA1CA12CA9
SCHEMBL1805112 0.79 ALDH1A1 (0.37) PTGES2MCL1

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 PTGES2 3086/4885CA2 1279/4885CA1 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.