SCHEMBL1806033

SCHEMBL1806033

[O]Cc1ccc(Cl)cc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALOX15 P16050 3/20 0.37
CYP3A4 P08684 3/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
MCL1 Q07820 3/20 0.36
NSD2 O96028 1/20 0.36
MMP14 P50281 1/20 0.36
CASP6 P55212 1/20 0.36
IDO1 P14902 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC22A1 O15245 1/20 0.35
USP2 O75604 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 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
SCHEMBL1807246 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1ALOX15CYP3A4LMNA
SCHEMBL1808821 0.85 HIF1A (0.39) ALDH1A1L3MBTL1ALOX15CYP3A4LMNA
SCHEMBL1806035 0.85 PSEN1 (0.44) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL1807106 0.83 CYP2A6 (0.39) ALDH1A1L3MBTL1ALOX15CYP3A4LMNA
SCHEMBL1807101 0.83 GRIK1 (0.37) ALDH1A1L3MBTL1ALOX15CYP3A4LMNA
SCHEMBL1805112 0.82 ALDH1A1 (0.37) ALDH1A1L3MBTL1ALOX15CYP3A4LMNA
SCHEMBL1807248 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1ALOX15CYP3A4LMNA
SCHEMBL1809165 0.81 ALDH1A1 (0.36) ALDH1A1L3MBTL1ALOX15CYP3A4LMNA
SCHEMBL1806670 0.81 PTGES2 (0.44)
SCHEMBL1803077 0.80 ALDH1A1 (0.38) ALDH1A1L3MBTL1ALOX15CYP3A4LMNA

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 ALDH1A1 218/4885L3MBTL1 2085/4885ALOX15 3480/4885

“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.