SCHEMBL3021700

SCHEMBL3021700

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)n2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
ADORA2B P29275 3/20 0.46
ADORA1 P30542 3/20 0.46
CTSS P25774 1/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 1/20 0.41
CACNA1B Q00975 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNA1C Q13936 1/20 0.38

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
SCHEMBL3021005 0.92 ADORA2A (0.44) ADORA2AADORA2BADORA1CTSSMAPT
SCHEMBL3015619 0.90 MAPT (0.47) ADORA2AADORA2BADORA1CTSSMAPT
SCHEMBL3021601 0.89 CTSS (0.43) ADORA2AADORA2BADORA1CTSSMAPT
SCHEMBL3016542 0.89 TP53 (0.41) ADORA2AADORA2BADORA1MAPTSMN1; SMN2
SCHEMBL3008333 0.89 CTSS (0.44) ADORA2AADORA2BADORA1CTSSMAPT
SCHEMBL3014450 0.88 KDM4E (0.41) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL3015867 0.88 ADORA2A (0.45) ADORA2AADORA2BADORA1CTSSMAPT
SCHEMBL3015863 0.88 CTSS (0.44) ADORA2AADORA2BADORA1CTSSMAPT
SCHEMBL3006248 0.88 DRD2 (0.36) ADORA2AADORA2BADORA1MAPTSMN1; SMN2
SCHEMBL3012937 0.88 HTR7 (0.43) MAPTSMN1; SMN2LMNATSHRKMT2A

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 ADORA2A 3280/4885ADORA2B 3576/4885ADORA1 3746/4885

“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.