SCHEMBL3022973

SCHEMBL3022973

O=S(=O)(c1c(F)cccc1F)C1CCN(c2nc(Cc3ccc(F)c(F)c3)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 2/20 0.38
PKLR P30613 2/20 0.38
CACNA1G O43497 2/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1I Q9P0X4 2/20 0.36
HRH3 Q9Y5N1 1/20 0.34
ADORA2A P29274 1/20 0.33
RIPK1 Q13546 1/20 0.32
LDHA P00338 2/20 0.32
SCN9A Q15858 2/20 0.32
DNM1L O00429 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3011131 0.92 PKM (0.38) ARRAB9ASMN1; SMN2NPC1PKM
SCHEMBL3021582 0.92 PKM (0.40) ARRAB9ASMN1; SMN2NPC1PKM
SCHEMBL3016410 0.91 CACNA1G (0.37) ARRAB9ASMN1; SMN2NPC1CACNA1G
SCHEMBL3001952 0.90 AR (0.39) ARRAB9ASMN1; SMN2NPC1PKM
SCHEMBL3007273 0.90 AR (0.39) ARRAB9ASMN1; SMN2NPC1PKM
SCHEMBL3020856 0.90 PKM (0.40) ARRAB9ASMN1; SMN2NPC1PKM
SCHEMBL3010508 0.90 AR (0.39) ARRAB9ASMN1; SMN2NPC1PKM
SCHEMBL3010387 0.89 AR (0.39) ARRAB9ASMN1; SMN2NPC1PKM
SCHEMBL3018628 0.89 AR (0.40) ARRAB9ASMN1; SMN2NPC1PKM
SCHEMBL3013308 0.89 NPC1 (0.42) ARRAB9ASMN1; SMN2NPC1PKM

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 AR 3801/4885RAB9A 2943/4885SMN1; SMN2 1/4885

“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.