SCHEMBL1809065

SCHEMBL1809065

NS(=O)(=O)c1ccc(Cl)cc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.49
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
PTGES2 Q9H7Z7 4/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
SLC22A1 O15245 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSPD1 P10809 1/20 0.42
HSPA5 P11021 1/20 0.42
IDO1 P14902 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL1806672 0.85 CA1 (0.46) PTGS2CA1CA2CA12CA9
SCHEMBL11683029 0.85 MAPT (0.45) PTGS2MAPTMEN1SLC22A1USP2
SCHEMBL1808822 0.83 MAPT (0.44) PTGS2MAPTMEN1SLC22A1USP2
SCHEMBL1809064 0.83 CA1 (0.42) CA1CA2CA12CA9PTGES2
SCHEMBL1039443 0.81 ADRA1D (0.48) MAPTMEN1CYP3A4KMT2APSEN1
Hydrochloric Acid SCHEMBL1016268 0.81 CA1 (0.41) CA1CA2CA12CA9PTGES2
SCHEMBL16822068 0.80 HTR2A (0.42) CA1CA2CA12CA9PTGES2
SCHEMBL23665727 0.79 PSEN1 (0.41) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL1808146 0.78 PTGS2 (0.49) PTGS2CA1CA2CA12CA9
SCHEMBL16099539 0.78 PTGS2 (0.49) PTGS2CA1CA2CA12CA9

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 PTGS2 1638/4885CA1 798/4885CA2 1279/4885

“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.