SCHEMBL12608929

SCHEMBL12608929

O=C(Oc1ccccc1C(=O)NCCS(=O)(=O)O)c1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ HCRTR1 O43613 2/20 0.46
▸ NAAA Q02083 1/20 0.46
▸ ALOX5 P09917 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NLRP1 Q9C000 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 3/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ESRRG P62508 1/20 0.41

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
SCHEMBL12041029 0.85 NAAA (0.60) ALDH1A1HPGDHSD17B10KDM4ENAAA
SCHEMBL14509023 0.84 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10KDM4EHCRTR1
SCHEMBL15344057 0.83 HCRTR1 (0.52) ALDH1A1HPGDHSD17B10KDM4EHCRTR1
SCHEMBL12608926 0.80 HCRTR1 (0.51) ALDH1A1HPGDHCRTR1TSHRHTT
SCHEMBL13014250 0.80 HPGD (0.54) ALDH1A1HPGDHSD17B10KDM4EHCRTR1
SCHEMBL15340491 0.76 NPC1 (0.51) ALDH1A1HPGDHCRTR1NPC1MAPT
SCHEMBL13143730 0.75 HCRTR1 (0.44) ALDH1A1HPGDHSD17B10KDM4EHCRTR1
SCHEMBL13143633 0.74 SLC6A3 (0.51) HPGDHSD17B10KDM4ETSHRMAPT
SCHEMBL13143658 0.73 KDM4E (0.49) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL13143731 0.72 CTNNB1 (0.42) KDM4EHCRTR1NPC1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 — — US disclosed
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 — — US disclosed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 — — US disclosed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 — — US disclosed
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S.A. (BR) 2011-05-19 — — US disclosed
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S.A. (BR) 2011-05-19 — — 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 (2 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-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 ALDH1A1 97/4885HPGD 782/4885HSD17B10 1629/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 ALDH1A1 97/4885HPGD 782/4885HSD17B10 1629/4885

“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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