SCHEMBL3009945

SCHEMBL3009945

O=S(=O)(c1cccc(F)c1)C1CCN(c2nc(Cc3ccccc3)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.42
HTR2A P28223 9/20 0.41
KCNH2 Q12809 7/20 0.41
HTR2C P28335 6/20 0.41
DRD2 P14416 3/20 0.41
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DNM1L O00429 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL2998070 0.92 GPR6 (0.42) GPR6HTR2AKCNH2HTR2CDRD2
SCHEMBL3007631 0.92 GPR6 (0.40) GPR6HTR2AKCNH2HTR2CDRD2
SCHEMBL3014910 0.92 GPR6 (0.42) GPR6HTR2AKCNH2HTR2CDRD2
SCHEMBL3002001 0.92 GPR6 (0.40) GPR6HTR2AKCNH2HTR2CDRD2
SCHEMBL3011113 0.92 GPR6 (0.42) GPR6HTR2AKCNH2HTR2CDRD2
SCHEMBL3005335 0.91 GPR6 (0.41) GPR6HTR2AKCNH2HTR2CDRD2
SCHEMBL3011199 0.90 GPR6 (0.41) GPR6HTR2AKCNH2HTR2CDRD2
SCHEMBL3008077 0.90 GPR6 (0.41) GPR6HTR2AKCNH2HTR2CDRD2
SCHEMBL3009459 0.90 GPR6 (0.42) GPR6HTR2AKCNH2HTR2CDRD2
SCHEMBL3008818 0.90 GPR6 (0.40) GPR6HTR2AKCNH2HTR2CDRD2

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 GPR6 4245/4885HTR2A 752/4885KCNH2 3130/4885

“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.