SCHEMBL2998949

SCHEMBL2998949

Cc1cccc(Cc2csc(N3CCC(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)n2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
AR P10275 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
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
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNQ1 P51787 1/20 0.35
TSHR P16473 1/20 0.35
KDM1A O60341 1/20 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
SCHEMBL3016146 0.94 CTSS (0.45) CTSSARNPC1RAB9APOLB
SCHEMBL3013463 0.91 CTSS (0.46) CTSSARNPC1RAB9APOLB
SCHEMBL3007430 0.89 CTSS (0.44) CTSSARNPC1RAB9APOLB
SCHEMBL3013735 0.89 GPR6 (0.39) NPC1RAB9AMAPTALDH1A1
SCHEMBL3016079 0.87 CTSS (0.45) CTSSARNPC1RAB9APOLB
SCHEMBL3014529 0.87 NPC1 (0.35) NPC1RAB9APOLBKDM4EMAPT
SCHEMBL3004586 0.87 RAB9A (0.40) NPC1RAB9APOLBMAPTKCNQ1
SCHEMBL3015867 0.87 ADORA2A (0.45) CTSSARNPC1RAB9AADORA2A
SCHEMBL3015863 0.86 CTSS (0.44) CTSSARNPC1RAB9APOLB
SCHEMBL3006763 0.86 CTSS (0.45) CTSSARNPC1RAB9APOLB

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 106/4885AR 3801/4885NPC1 15/4885

“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.