SCHEMBL3000710

SCHEMBL3000710

Cc1cccc(Cc2csc(N3CCC(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.45
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
AR P10275 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL3005492 0.94 CTSS (0.45) CTSSADORA2AADORA2BADORA1KDM4E
SCHEMBL3006763 0.92 CTSS (0.45) CTSSADORA2AADORA2BADORA1KDM4E
SCHEMBL3014445 0.91 CTSS (0.47) CTSSADORA2AADORA2BADORA1KDM4E
SCHEMBL3015863 0.91 CTSS (0.44) CTSSADORA2AADORA2BADORA1KDM4E
SCHEMBL3017915 0.90 CTSS (0.45) CTSSADORA2AADORA2BADORA1KDM4E
SCHEMBL3021601 0.89 CTSS (0.43) CTSSADORA2AADORA2BADORA1KDM4E
SCHEMBL3003666 0.89 CTSS (0.45) CTSSADORA2AADORA2BADORA1KDM4E
SCHEMBL3005335 0.89 GPR6 (0.41) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL3007430 0.88 CTSS (0.44) CTSSADORA2AADORA2BADORA1KDM4E
SCHEMBL3016079 0.88 CTSS (0.45) CTSSADORA2AADORA2BADORA1KDM4E

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 CTSS 106/4885ADORA2A 3280/4885ADORA2B 3576/4885

“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.