SCHEMBL1804533

SCHEMBL1804533

[O]c1ccc(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.52
▸ AURKA O14965 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ CYP1A2 P05177 3/20 0.47
▸ CTRB1 P17538 1/20 0.46
▸ COMT P21964 1/20 0.44
▸ LDHA P00338 1/20 0.44
▸ TNNI3 P19429 1/20 0.42
▸ TNNT2 P45379 1/20 0.42
▸ TNNC1 P63316 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ MPL P40238 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SUMO2 P61956 2/20 0.39
▸ SUMO1 P63165 2/20 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
SCHEMBL703189 0.89 TTR (0.61) TTRAURKAAURKBCYP1A2CTRB1
SCHEMBL29409575 0.89 TTR (0.61) TTRAURKAAURKBCYP1A2CTRB1
SCHEMBL1805962 0.87 TTR (0.62) TTRAURKAAURKBCYP1A2CTRB1
SCHEMBL7710380 0.86 TTR (0.59) TTRAURKAAURKBCYP1A2CTRB1
Hydrochloric Acid SCHEMBL11157253 0.86 TTR (0.59) TTRAURKAAURKBCYP1A2CTRB1
SCHEMBL6242 0.79 TTR (0.75) TTRAURKAAURKBCYP1A2CTRB1
SCHEMBL30233642 0.79 TTR (0.75) TTRAURKAAURKBCYP1A2CTRB1
SCHEMBL29363198 0.79 TTR (0.75) TTRAURKAAURKBCYP1A2CTRB1
SCHEMBL1805454 0.78 LDHA (0.64) AURKAAURKBLDHAHSD17B10
SCHEMBL29564390 0.78 LDHA (0.70) TTRAURKAAURKBCYP1A2CTRB1

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-0045278-B1 REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1984-09-19 — — EP disclosed
US-4330469-A Reactive dyes, processes for their manufacture and their use CIBA-GEIGY CORPORATION (US) 1982-05-18 — — US disclosed
EP-0045278-A2 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1982-02-03 — — 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 594/4885AURKA 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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