SCHEMBL1806554

SCHEMBL1806554

[O]Cc1ccc(S(=O)(=O)O)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.34
ADRA1D P25100 1/20 0.34
CA1 P00915 4/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
TRPV4 Q9HBA0 2/20 0.33
RECQL P46063 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IDO1 P14902 1/20 0.32
CA12 O43570 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32

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
SCHEMBL1806556 0.85 PTGES2 (0.40) CA2ADRA1DCA1CA7CA9
Hydrochloric Acid SCHEMBL27785609 0.83 TTR (0.35) CA2ADRA1DCA1CA7CA9
SCHEMBL1806621 0.83 ADRA1D (0.39) CA2ADRA1DCA1CA7CA9
SCHEMBL1806624 0.83 CSNK2A1 (0.43) CA2CA1CA7CA9CA14
Hydrochloric Acid SCHEMBL27763840 0.81 CYP4F2 (0.40) CA2ADRA1DCA1CA7CA9
SCHEMBL1804853 0.81 CA1 (0.46) CA2CA1CA7CA9CA14
SCHEMBL9430577 0.78 CYP1A2 (0.41) CA2CA1CA9ALDH1A1CYP3A4
SCHEMBL1802408 0.77 ESR2 (0.41) RECQLALDH1A1HPGDHSD17B10POLB
SCHEMBL30678861 0.75 HSD11B1 (0.45) TRPV4HPGDTSHRCASP1HSD17B10
SCHEMBL1729184 0.75 HSD11B1 (0.45) TRPV4HPGDTSHRCASP1HSD17B10

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 1279/4885ADRA1D 3126/4885CA1 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.