SCHEMBL1804052

SCHEMBL1804052

C[N]c1cc(OC)ccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ PKM P14618 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SLC2A1 P11166 3/20 0.37
▸ PRKAB2 O43741 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAG3 Q9UGI9 1/20 0.37
▸ PRKAG2 Q9UGJ0 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL12052698 0.77 MPL (0.42) MPLL3MBTL1PKMPRKAB2PRKAG1
SCHEMBL27724224 0.77 KEAP1 (0.47) MPLL3MBTL1PKMSMN1; SMN2GAA
SCHEMBL1155621 0.77 NPC1 (0.52) MPLL3MBTL1PKMSMN1; SMN2GAA
SCHEMBL669063 0.77 GAA (0.54) L3MBTL1GAAMEN1ALDH1A1CYP3A4
SCHEMBL1808666 0.77 MPL (0.44) MPLL3MBTL1GAAMAPTHPGD
SCHEMBL1817467 0.77 PKM (0.55) MPLL3MBTL1PKMSMN1; SMN2GAA
SCHEMBL10745617 0.75 GAA (0.52) L3MBTL1SMN1; SMN2GAAMAPTHPGD
Hydrochloric Acid SCHEMBL2532256 0.75 GAA (0.52) L3MBTL1GAAMAPTMEN1ALDH1A1
SCHEMBL157883 0.75 L3MBTL1 (0.41) MPLL3MBTL1PKMSMN1; SMN2GAA
SCHEMBL1804208 0.75 NSD2 (0.41) L3MBTL1SMN1; SMN2GAAMAPTHPGD

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 MPL 4659/4885L3MBTL1 2085/4885PKM 714/4885

“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.

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