SCHEMBL12608932

SCHEMBL12608932

O=C(NCCS(=O)(=O)O)c1ccccc1NCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.57
▸ HPGD P15428 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HTT P42858 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ RAB9A P51151 6/20 0.53
▸ NPC1 O15118 6/20 0.53
▸ MT-CO2 P00403 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ POLB P06746 2/20 0.48
▸ NLRP3 Q96P20 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NLRP1 Q9C000 1/20 0.47
▸ PTGS2 P35354 1/20 0.46

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
SCHEMBL4562581 0.80 NPC1 (0.56) KDM4EHPGDALDH1A1HTTHSD17B10
SCHEMBL8056053 0.77 MAPT (0.65) KDM4EHPGDALDH1A1HTTHSD17B10
Enfenamic Acid SCHEMBL25191 0.77 KDM6B (0.68) KDM4EHPGDALDH1A1HSD17B10RAB9A
Enfenamic Acid SCHEMBL10935569 0.75 KDM6B (0.66) KDM4EHPGDALDH1A1HSD17B10RAB9A
SCHEMBL29858570 0.75 RAB9A (0.63) KDM4EHPGDALDH1A1HTTHSD17B10
SCHEMBL3407189 0.75 RAB9A (0.63) KDM4EHPGDALDH1A1HTTHSD17B10
SCHEMBL11077645 0.74 EPHX2 (0.50) KDM4EHPGDALDH1A1HTTHSD17B10
SCHEMBL5387032 0.74 SIRT2 (0.63) KDM4EHPGDALDH1A1HSD17B10RXFP1
SCHEMBL12608931 0.74 RXFP1 (0.54) KDM4EHPGDALDH1A1HTTHSD17B10
SCHEMBL12041029 0.74 NAAA (0.60) KDM4EHPGDALDH1A1HTTHSD17B10

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 KDM4E 2862/4885HPGD 782/4885ALDH1A1 97/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 KDM4E 2862/4885HPGD 782/4885ALDH1A1 97/4885

“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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