SCHEMBL1805970

SCHEMBL1805970

CCc1ccc(S)c(S(N)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.50
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA9 Q16790 3/20 0.43
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDIA6 Q15084 1/20 0.37
EDNRB P24530 3/20 0.36
EDNRA P25101 3/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1808630 0.81 TRPA1 (0.39) CA2TRPA1ALDH1A1SMN1; SMN2MAPT
SCHEMBL18741085 0.81 CA2 (0.53) CA2CA12CA1CA9TRPA1
SCHEMBL29469901 0.79 CA2 (0.52) CA2CA12CA1CA9TRPA1
SCHEMBL7904621 0.79 CA2 (0.52) CA2CA12CA1CA9TRPA1
SCHEMBL4516488 0.79 CA2 (0.52) CA2CA12CA1CA9TRPA1
SCHEMBL1805969 0.78 CA2 (0.50) CA2CA12CA1CA9TRPA1
SCHEMBL289875 0.78 CA2 (0.50) CA2CA12CA1CA9CA7
SCHEMBL9174184 0.77 CA2 (0.53) CA2CA12CA1CA9TRPA1
SCHEMBL22015596 0.76 PDIA6 (0.53) CA2CA12CA1CA9TRPA1
SCHEMBL10640275 0.75 PKM (0.55) CA2CA12CA1CA9

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 CA2 1279/4885CA12 1243/4885CA1 798/4885

“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.