SCHEMBL3018446

SCHEMBL3018446

Cc1nc(S(=O)(=O)Cl)c(C#N)c(C)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 2/20 0.59
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
HTT P42858 2/20 0.58
LMNA P02545 2/20 0.58
CYP3A4 P08684 2/20 0.58
POLB P06746 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.53
THRB P10828 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PKM P14618 1/20 0.40
POLQ O75417 2/20 0.37

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
SCHEMBL2614484 0.77 HTT (0.63) CYP1A2SMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL13856723 0.76 GAA (1.00) CYP1A2SMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL8471830 0.75 KMT2A (0.61) CYP1A2SMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL29799018 0.75 KMT2A (0.61) CYP1A2SMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL24233046 0.72 HTT (0.58) CYP1A2SMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL4673214 0.72 HTT (0.58) CYP1A2SMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL31581604 0.70 HTT (0.51) CYP1A2SMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL4013841 0.70 KDM4E (0.51) CYP1A2SMN1; SMN2GAACYP2C19POLB
SCHEMBL31644374 0.68 HTT (0.53) CYP1A2SMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL21847883 0.67 GAA (0.49) CYP1A2SMN1; SMN2GAACYP2C9CYP2C19

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 9 patents. 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-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-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 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 (4 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CYP1A2 2850/4885SMN1; SMN2 4/4885GAA 203/4885
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA CYP1A2 4573/4885SMN1; SMN2 1/4885GAA 110/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CYP1A2 2850/4885SMN1; SMN2 4/4885GAA 203/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CYP1A2 2850/4885SMN1; SMN2 4/4885GAA 203/4885

“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.