SCHEMBL1805765

SCHEMBL1805765

COc1ccc([NH])cc1S(N)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.58
▸ CA12 O43570 7/20 0.50
▸ CA2 P00918 7/20 0.50
▸ CA9 Q16790 7/20 0.50
▸ CA1 P00915 5/20 0.50
▸ CA4 P22748 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ BRD4 O60885 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL158165 0.81 GSK3B (0.46) PKMALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL1807813 0.81 PKM (0.58) PKMCA12CA2CA9CA1
SCHEMBL1137736 0.79 L3MBTL1 (0.64) PKMCA12CA2CA9CA1
SCHEMBL31536845 0.79 KMT2A (0.60) PKMCA12CA2CA9CA1
SCHEMBL1807811 0.79 PKM (0.60) PKMCA12CA2CA9CA1
SCHEMBL11497305 0.79 PKM (0.60) PKMCA12CA2CA9CA1
SCHEMBL1805768 0.79 PKM (0.60) PKMCA12CA2CA9CA1
SCHEMBL5188196 0.79 KMT2A (0.60) PKMCA12CA2CA9CA1
SCHEMBL29406781 0.79 L3MBTL1 (0.64) PKMCA12CA2CA9CA1
SCHEMBL1137871 0.78 SMN1; SMN2 (0.59) PKMCA12CA2CA9CA1

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 PKM 714/4885CA12 1243/4885CA2 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.

Send feedback