SCHEMBL3001239

SCHEMBL3001239

Cc1cccc(-c2csc(N3CCC(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)n2)c1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
CTSS P25774 1/20 0.46
AR P10275 3/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
KCNQ1 P51787 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3009743 0.94 RAF1 (0.50) RAF1BRAFCTSSARNPC1
SCHEMBL3016070 0.90 CTSS (0.48) RAF1BRAFCTSSARNPC1
SCHEMBL3012647 0.89 RAF1 (0.53) RAF1BRAFCTSSARNPC1
SCHEMBL3013809 0.88 AR (0.44) ARNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL3016128 0.86 CTSS (0.47) RAF1BRAFCTSSARNPC1
SCHEMBL3007475 0.86 SMN1; SMN2 (0.46) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3019194 0.86 AR (0.40) ARNPC1RAB9APOLBSMN1; SMN2
SCHEMBL3003910 0.86 RAF1 (0.42) RAF1BRAFARNPC1RAB9A
SCHEMBL3011543 0.86 AR (0.46) RAF1BRAFCTSSARNPC1
SCHEMBL3005106 0.86 AR (0.52) RAF1BRAFCTSSARNPC1

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 RAF1 3057/4885BRAF 2732/4885CTSS 106/4885

“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.