SCHEMBL3014892

SCHEMBL3014892

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4c(C(C)C)cc(C(C)C)cc4C(C)C)CC3)n2)cc(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HRH3 Q9Y5N1 1/20 0.34
F2RL3 Q96RI0 15/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3013521 0.91 RAB9A (0.36) MAPK1HRH3F2RL3KDM4E
SCHEMBL3008408 0.90 F2RL3 (0.36) ALDH1A1HRH3F2RL3
SCHEMBL3000434 0.87 RAB9A (0.38) ALDH1A1HRH3F2RL3
SCHEMBL3019281 0.87 HRH3 (0.35) ALDH1A1GAAMAPK1HRH3
SCHEMBL3004088 0.87 ALDH1A1 (0.35) ALDH1A1HRH3
SCHEMBL3011245 0.86 HRH3 (0.35) HRH3F2RL3KDM4E
SCHEMBL3019251 0.86 ALDH1A1 (0.38) ALDH1A1GAAMAPK1F2RL3KDM4E
SCHEMBL3019927 0.86 MAPK1 (0.53) ALDH1A1GAAMAPK1KDM4E
SCHEMBL3004144 0.86 ALDH1A1 (0.39) ALDH1A1GAAMAPK1HRH3F2RL3
SCHEMBL3009855 0.86 HRH3 (0.34) ALDH1A1MAPK1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA ALDH1A1 3510/4885GAA 110/4885MAPK1 2767/4885

“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.