SCHEMBL1802303

SCHEMBL1802303

Cc1cccc(CCO)c1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CTBP2 P56545 1/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PTGS2 P35354 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL8019559 0.86 NR3C1 (0.37) CA12CA1CA2CA9TAAR1
SCHEMBL1802302 0.86 CA12 (0.33) CA12CA1CA2CA9TAAR1
SCHEMBL1806098 0.85 PDCD1 (0.39) CA12CA1CA2CA9CTBP2
SCHEMBL1808207 0.84 CA2 (0.41) CA12CA1CA2CA9TAAR1
Ammonia Solution, Strong SCHEMBL27977326 0.84 NR3C1 (0.36) CA12CA1CA2CA9TAAR1
SCHEMBL3837082 0.84 CA12 (0.33) CA12CA1CA2CA9TAAR1
SCHEMBL1607448 0.83 GABRA1 (0.45) KDM4EPOLBTDP1GABRA1GABRB2
SCHEMBL1806095 0.83 CTBP2 (0.36) CA12CA1CA2CA9CTBP2
SCHEMBL6684176 0.83 CYSLTR2 (0.39) CTBP2PTGS2MEN1KMT2A
SCHEMBL27843125 0.81 BID (0.44) KDM4EPTGS2

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 CA12 1243/4885CA1 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.