SCHEMBL1020708

SCHEMBL1020708

Cc1ccccc1Oc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 4/20 0.45
GPR55 Q9Y2T6 1/20 0.44
AR P10275 2/20 0.44
PTGS2 P35354 2/20 0.43
MAPK14 Q16539 1/20 0.43
MMP1 P03956 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL8741349 0.86 HTT (0.61) SMN1; SMN2ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL14018388 0.84 PTGS2 (0.59) SMN1; SMN2ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL27749722 0.84 PTGS2 (0.46) SMN1; SMN2ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL958076 0.83 HTT (0.66) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3768664 0.82 AR (0.44) SMN1; SMN2ALDH1A1HPGDTSHRMEN1
SCHEMBL16621785 0.81 HTT (0.70) SMN1; SMN2ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL16621783 0.81 HTT (0.56) SMN1; SMN2ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL7690257 0.81 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL732827 0.81 KMT2A (0.48) ALDH1A1KMT2AHSD17B10TDP1
SCHEMBL31518388 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AHSD17B10

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 US disclosed
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP disclosed
US-7741337-B2 Azonafide derivatives, methods for their production and pharmaceutical compositions therefrom UNIBIOSCREEN S.A. (BE) 2010-06-22 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 US disclosed
US-20080292585-A1 Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom UNIBIOSCREEN S.A. (BE) 2008-11-27 US disclosed
EP-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP disclosed
EP-1963255-A1 SYNEPHRINE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP disclosed
EP-1960365-A2 AZONAFIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM Unibioscreen S.A. (BE) 2008-08-27 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO disclosed
WO-2007071452-A1 SYNEPHRINE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 US disclosed
WO-2007054292-A2 AZONAFIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIBIOSCREEN S.A. (BE) 2007-05-18 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 (5 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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 SMN1; SMN2 1884/4885ALDH1A1 3248/4885HPGD 1523/4885
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE HDAC6, HDAC1, HDAC3 SMN1; SMN2 232/4885ALDH1A1 709/4885HPGD 806/4885
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA SMN1; SMN2 1/4885ALDH1A1 3510/4885HPGD 2894/4885
US-20080292585-A1 Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom AADAC, NOTUM, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SMN1; SMN2 4798/4885ALDH1A1 121/4885HPGD 908/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885ALDH1A1 1930/4885HPGD 1746/4885

“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.