SCHEMBL1809155

SCHEMBL1809155

[O]c1cccc2cccc(S(=O)(=O)O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.53
FABP4 P15090 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
MAPK14 Q16539 1/20 0.53
NR4A1 P22736 1/20 0.51
SNCA P37840 2/20 0.38
CHAT P28329 1/20 0.38
ATIC P31939 2/20 0.38
CD40 P25942 2/20 0.37
CD40LG P29965 2/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CES2 O00748 1/20 0.37
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL1742117 0.87 TTR (0.59) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL1808443 0.81 CA2 (0.55) CDK2ATICF2PRSS1PRSS2
SCHEMBL11150678 0.80 ALDH1A1 (0.43) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL465006 0.79 CDK2 (0.53) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8927875 0.79 TTR (0.49) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL153141 0.78 MAPT (0.57) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL179823 0.78 TTR (0.58) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL10598159 0.78 TTR (0.51) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL343611 0.78 TTR (0.51) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL7744816 0.78 TTR (0.51) TTRFABP4CCNA2CDK2MAPK14

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 5 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
EP-0012411-B1 ANTHRAQUINONE REACTIVE DYESTUFFS AND THEIR USE IN DYEING MATERIALS THAT CONTAIN HYDROXYL OR AMIDE GROUPS BAYER AG (DE) 1983-05-18 EP disclosed
US-4377688-A Anthraquinone reactive dyestuffs, their preparation and their use for dyeing materials containing OH groups or amide groups BAYER AKTIENGESELLSCHAFT (DE) 1983-03-22 US disclosed
EP-0012411-A1 Anthraquinone reactive dyestuffs and their use in dyeing materials that contain hydroxyl or amide groups BAYER AG (DE) 1980-06-25 EP 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 TTR 594/4885FABP4 4636/4885CCNA2 168/4885

“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.