SCHEMBL3010467

SCHEMBL3010467

CC(C)(C)OC(=O)N1CCc2cc(S(=O)(=O)Cl)sc2C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
NR1H2 P55055 1/20 0.49
ADORA1 P30542 2/20 0.46
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MKNK1 Q9BUB5 8/20 0.40
MAPK1 P28482 1/20 0.39
GRAMD1A Q96CP6 1/20 0.39
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 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
SCHEMBL4183295 0.91 ESR2 (0.50) ESR2NR1H2ADORA1MAPTKDM4E
SCHEMBL13985779 0.81 ESR2 (0.55) ESR2NR1H2ADORA1MAPTKDM4E
SCHEMBL3652903 0.81 HDAC6 (0.40) ESR2HDAC6
SCHEMBL27141410 0.80 HDAC6 (0.58) ESR2NR1H2ADORA1MAPTKDM4E
SCHEMBL986037 0.80 ESR2 (0.54) ESR2NR1H2ADORA1MAPTKDM4E
SCHEMBL27111832 0.80 ESR2 (0.51) ESR2NR1H2ADORA1MAPTKDM4E
SCHEMBL4815544 0.79 ESR2 (0.53) ESR2NR1H2ADORA1MAPTKDM4E
SCHEMBL976244 0.79 ADORA1 (0.55) ESR2NR1H2ADORA1MAPTKDM4E
SCHEMBL21962422 0.79 NR1H2 (0.52) ESR2NR1H2ADORA1MAPTKDM4E
SCHEMBL13593457 0.78 ESR2 (0.52) ESR2NR1H2ADORA1MAPTKDM4E

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 7 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
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

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 ESR2 4434/4885NR1H2 1893/4885ADORA1 2121/4885
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA ESR2 4189/4885NR1H2 1306/4885ADORA1 3746/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ESR2 4434/4885NR1H2 1893/4885ADORA1 2121/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ESR2 4434/4885NR1H2 1893/4885ADORA1 2121/4885

“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.