SCHEMBL1807974

SCHEMBL1807974

Cc1cccc(CN)c1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
PNMT P11086 1/20 0.35
CTBP2 P56545 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
SLC9A1 P19634 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1806095 0.85 CTBP2 (0.36) CA2CA12CA1CA9CTBP2
SCHEMBL1607448 0.85 GABRA1 (0.45) TDP1KDM4EPOLBGABRA1GABRB2
SCHEMBL1806098 0.83 PDCD1 (0.39) CA2CA12CA1CA9CTBP2
SCHEMBL1807970 0.81 NR3C1 (0.35) CA2CA12CA1CA9CTBP2
SCHEMBL1802303 0.80 CA12 (0.33) TAAR1CA2CA12CA1CA9
SCHEMBL1802302 0.80 CA12 (0.33) TAAR1CA2CA12CA1CA9
SCHEMBL8019559 0.80 NR3C1 (0.37) TAAR1CA2CA12CA1CA9
SCHEMBL183903 0.80 ALDH1A1 (0.43) CA2CA1CA9TDP1KDM4E
SCHEMBL11805344 0.79 TTR (0.43) CA2CA12CA1CA9PNMT
Ammonia Solution, Strong SCHEMBL27977326 0.79 NR3C1 (0.36) TAAR1CA2CA12CA1CA9

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 TAAR1 1933/4885CA2 1279/4885CA12 1243/4885

“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.