SCHEMBL1805692

SCHEMBL1805692

O=S(=O)(O)c1cccc2ccc(Cl)c(O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.50
CDK2 P24941 2/20 0.50
FABP4 P15090 1/20 0.50
CCNA2 P20248 1/20 0.50
MAPK14 Q16539 1/20 0.50
NR4A1 P22736 1/20 0.49
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
CTRB1 P17538 1/20 0.40
ATIC P31939 2/20 0.40
CYP1A2 P05177 1/20 0.38
ACLY P53396 1/20 0.37
CHAT P28329 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
SCHEMBL1804973 0.86 CA1 (0.46) CDK2ALDH1A1KDM4EMEN1TSHR
SCHEMBL28065899 0.84 TTR (0.54) TTRCDK2FABP4CCNA2MAPK14
SCHEMBL1805691 0.83 TTR (0.46) TTRCDK2FABP4CCNA2MAPK14
SCHEMBL13730297 0.82 CDK2 (0.55) TTRCDK2FABP4CCNA2MAPK14
SCHEMBL153141 0.82 MAPT (0.57) TTRCDK2FABP4CCNA2MAPK14
SCHEMBL9614841 0.79 TTR (0.50) TTRCDK2FABP4CCNA2MAPK14
SCHEMBL1742117 0.79 TTR (0.59) TTRCDK2FABP4CCNA2MAPK14
SCHEMBL10423502 0.77 TTR (0.42) TTRALDH1A1MEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL27286541 0.76 ACLY (0.41) TTRALDH1A1MEN1TSHRKMT2A
SCHEMBL465006 0.76 CDK2 (0.53) TTRCDK2FABP4CCNA2MAPK14

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 TTR 594/4885CDK2 652/4885FABP4 4636/4885

“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.