SCHEMBL1807681

SCHEMBL1807681

Cc1c(S(N)(=O)=O)ccc(CC[O])c1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LRRK2 Q5S007 1/20 0.33
PDIA6 Q15084 1/20 0.33
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
LDHA P00338 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1805713 0.89 ALDH1A1 (0.37) ALDH1A1LRRK2PDIA6GAALMNA
SCHEMBL1804329 0.89 ALDH1A1 (0.41) ALDH1A1LRRK2PDIA6GAALMNA
SCHEMBL1803796 0.89 MEN1 (0.33) FABP3FABP4FABP5
SCHEMBL1808645 0.88 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1807682 0.88 ALDH1A1 (0.38) ALDH1A1LRRK2PDIA6GAALMNA
SCHEMBL1804331 0.84 ALDH1A1 (0.40) ALDH1A1LRRK2PDIA6GAALMNA
SCHEMBL1805714 0.78 CA2 (0.40) ALDH1A1PDIA6GAALMNAL3MBTL1
SCHEMBL1804997 0.76 MEN1 (0.36) LMNAFABP3FABP4FABP5KDM4E
SCHEMBL28184582 0.76 ALDH1A1 (0.51) ALDH1A1PDIA6GAALMNAL3MBTL1
SCHEMBL1803660 0.76 ALDH1A1 (0.40) ALDH1A1LRRK2PDIA6GAALMNA

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 218/4885LRRK2 735/4885PDIA6 2683/4885

“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.