SCHEMBL1808989

SCHEMBL1808989

C[N]c1cccc(S(=O)(=O)O)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
TTR P02766 2/20 0.36
ATIC P31939 1/20 0.35
F2 P00734 3/20 0.35
PRSS1 P07477 3/20 0.35
PRSS2 P07478 3/20 0.35
PRSS3 P35030 3/20 0.35
MYC P01106 1/20 0.34
KMT2A Q03164 3/20 0.33
SLC2A1 P11166 2/20 0.33
MEN1 O00255 2/20 0.33
BLM P54132 2/20 0.33
MPL P40238 1/20 0.33
FABP4 P15090 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK14 Q16539 1/20 0.33
NSD2 O96028 1/20 0.33
POLB P06746 1/20 0.33
IDE P14735 1/20 0.33

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
SCHEMBL668439 0.78 HTR6 (0.47) TTRKMT2AMEN1ALDH1A1MAPT
SCHEMBL1808795 0.77 MYC (0.44) CYP1A2TTRATICMYCKMT2A
SCHEMBL7789942 0.77 MYC (0.41) CYP1A2TTRF2PRSS1PRSS2
SCHEMBL1804585 0.77 CYP1A2 (0.41) CYP1A2TTRATICMYCKMT2A
SCHEMBL1305778 0.77 CA1 (0.50) TTRMYCKMT2AMEN1MPL
Hydrochloric Acid SCHEMBL1796557 0.77 HTR6 (0.46) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL9797283 0.76 TTR (0.36) CYP1A2TTRATICF2PRSS1
SCHEMBL18700967 0.75 KRAS (0.41) TTRMYCKMT2AALDH1A1MAPT
SCHEMBL28753800 0.75 CA1 (0.49) TTRMYCKMT2AMEN1MPL
SCHEMBL1607148 0.75 TTR (0.55) CYP1A2TTRF2PRSS1PRSS2

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 CYP1A2 487/4885TTR 594/4885ATIC 1752/4885

“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.