SCHEMBL3015867

SCHEMBL3015867

COc1ccccc1Cc1csc(N2CCC(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.45
ADORA2B P29275 2/20 0.45
ADORA1 P30542 2/20 0.45
CTSS P25774 1/20 0.43
TSHR P16473 4/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 1/20 0.43
CACNA1B Q00975 2/20 0.42
MAPT P10636 4/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA1C Q13936 1/20 0.40
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR2 P41597 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
SCHEMBL3022153 0.91 MAPT (0.43) ADORA2AADORA2BADORA1CTSSTSHR
SCHEMBL2999753 0.91 MAPT (0.45) ADORA2AADORA2BADORA1CTSSTSHR
SCHEMBL3004393 0.89 MEN1 (0.41) LMNAKMT2AMAPTSMN1; SMN2TDP1
SCHEMBL3016146 0.89 CTSS (0.45) ADORA2AADORA2BADORA1CTSSKMT2A
SCHEMBL3021700 0.88 ADORA2A (0.46) ADORA2AADORA2BADORA1CTSSTSHR
SCHEMBL3021005 0.88 ADORA2A (0.44) ADORA2AADORA2BADORA1CTSSTSHR
SCHEMBL2999879 0.87 PSMD14 (0.37) KMT2AMAPTHTT
SCHEMBL3007560 0.87 KDM1A (0.40) TSHRLMNAKMT2AMAPTHTT
SCHEMBL3014141 0.87 GAA (0.51) TSHRLMNANPSR1KMT2AMAPT
SCHEMBL2998949 0.87 CTSS (0.44) ADORA2AADORA2BADORA1CTSSTSHR

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.