SCHEMBL1805962

SCHEMBL1805962

[O]c1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.62
▸ AURKA O14965 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ CYP1A2 P05177 3/20 0.47
▸ CDK2 P24941 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ IDE P14735 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ COMT P21964 1/20 0.41
▸ ATIC P31939 2/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ SNCA P37840 2/20 0.39
▸ CHAT P28329 1/20 0.39
▸ CTRB1 P17538 1/20 0.39
▸ ALPL P05186 1/20 0.39

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
SCHEMBL30233642 0.89 TTR (0.75) TTRAURKAAURKBCYP1A2CDK2
SCHEMBL29363198 0.89 TTR (0.75) TTRAURKAAURKBCYP1A2CDK2
SCHEMBL6242 0.89 TTR (0.75) TTRAURKAAURKBCYP1A2CDK2
SCHEMBL1804533 0.87 TTR (0.52) TTRAURKAAURKBCYP1A2MEN1
Ammonia Solution, Strong SCHEMBL25312340 0.86 TTR (0.72) TTRAURKAAURKBCYP1A2CDK2
SCHEMBL10725694 0.86 TTR (0.72) TTRAURKAAURKBCYP1A2CDK2
SCHEMBL127423 0.86 TTR (0.72) TTRAURKAAURKBCYP1A2CDK2
SCHEMBL599164 0.86 TTR (0.72) TTRAURKAAURKBCYP1A2CDK2
SCHEMBL599986 0.86 TTR (0.72) TTRAURKAAURKBCYP1A2CDK2
SCHEMBL11322620 0.86 TTR (0.72) TTRAURKAAURKBCYP1A2CDK2

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 3 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
CN-102327231-A Water-soluble phthalocyanine silicon dioxide nanoparticles as well as preparation method and application thereof UNIV NANJING NORMAL 2012-01-25 — — CN 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 594/4885AURKA 2276/4885AURKB 3467/4885

“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.

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