SCHEMBL1808294

SCHEMBL1808294

Cc1cc(S)ccc1S(N)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA7 P43166 3/20 0.38
PTGS2 P35354 1/20 0.37
CYP2C9 P11712 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
CA9 Q16790 4/20 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
SCHEMBL14351399 0.83 L3MBTL1 (0.41) PDIA6L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL1804216 0.79 L3MBTL1 (0.38) PDIA6L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL1807015 0.79 PDIA6 (0.51) PDIA6L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL5795116 0.78 PDIA6 (0.55) PDIA6L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL30266645 0.78 PDIA6 (0.55) PDIA6L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL1810176 0.77 ALDH1A1 (0.43) PDIA6L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL23536145 0.77 PDIA6 (0.53) PDIA6L3MBTL1KDM4ELMNACA1
SCHEMBL1807019 0.77 L3MBTL1 (0.70) PDIA6L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL1808292 0.77 PDIA6 (0.53) PDIA6L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL12094098 0.77 PDIA6 (0.53) PDIA6L3MBTL1ALDH1A1KDM4ELMNA

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 PDIA6 2683/4885L3MBTL1 2085/4885ALDH1A1 218/4885

“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.