SCHEMBL13880538

SCHEMBL13880538

Cc1c(N)ccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.66
▸ AURKA O14965 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ CYP1A2 P05177 2/20 0.47
▸ SENP2 Q9HC62 5/20 0.45
▸ SUMO2 P61956 4/20 0.45
▸ SUMO1 P63165 4/20 0.45
▸ SENP7 Q9BQF6 4/20 0.45
▸ ATIC P31939 2/20 0.45
▸ SENP1 Q9P0U3 4/20 0.44
▸ SENP3 Q9H4L4 2/20 0.44
▸ NSD2 O96028 2/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ EDNRA P25101 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ SNCA P37840 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6051313 0.86 TTR (0.70) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL26743894 0.83 TTR (0.61) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL28657871 0.82 TTR (0.55) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL30322685 0.81 TTR (0.68) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL18937495 0.81 SENP2 (0.56) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL313372 0.81 TTR (0.68) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL10774781 0.81 TTR (0.68) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL6937442 0.80 TTR (0.67) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL30804445 0.80 TTR (1.00) TTRAURKAAURKBCYP1A2NSD2
SCHEMBL29518656 0.80 TTR (1.00) TTRAURKAAURKBCYP1A2NSD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 — — US disclosed
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 — — US disclosed
US-20080280052-A1 Process for Printing Textile Fibre Materials in Accordance with the Ink-Jet Printing Process HUNTSMAN INTERNATIONAL LLC 2008-11-13 — — US disclosed
WO-2007063024-A2 KERATIN-BINDING EFFECTOR MOLECULES CONTAINING REACTIVE DYES BASF SE (DE) 2007-06-07 — — WO 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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 TTR 428/4885AURKA 812/4885AURKB 712/4885

“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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