SCHEMBL14469681

SCHEMBL14469681

CNc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 10/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ RECQL P46063 2/20 0.33
▸ CASP6 P55212 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ ELAVL1 Q15717 1/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ NSD2 O96028 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ APOBEC3A P31941 1/20 0.31

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
SCHEMBL14469808 0.89 HTR6 (0.34) HSD17B10ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL2687180 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL11672340 0.81 PHLPP2 (0.43) HSD17B10ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL11672336 0.81 PHLPP2 (0.43) HSD17B10ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL11671416 0.80 PHLPP2 (0.39) HSD17B10ALDH1A1L3MBTL1MAPTGAA
SCHEMBL11671413 0.80 PHLPP2 (0.39) HSD17B10ALDH1A1L3MBTL1MAPTGAA
SCHEMBL13880671 0.79 ENPP2 (0.43) HSD17B10ALDH1A1KDM4EMAPTMEN1
SCHEMBL14546997 0.79 P2RX5 (0.33) ALDH1A1KDM4EMAPTTDP1RAB9A
SCHEMBL8981247 0.78 TIMP3 (0.51) TIMP3HSD17B10ALDH1A1L3MBTL1KDM4E
SCHEMBL872920 0.78 CTDSP1 (0.40) HSD17B10ALDH1A1KDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070151049-A1 Fibre-reactive anthraquinone dyes, process for their preparation and the use thereof HUNTSMAN INTERNATIONAL LLC (US) 2007-07-05 — — 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-20070151049-A1 Fibre-reactive anthraquinone dyes, process for their preparation and the use thereof H1-5, C5, C1S TIMP3 4800/4885HSD17B10 1205/4885ALDH1A1 1999/4885

“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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