SCHEMBL3002001

SCHEMBL3002001

O=S(=O)(c1cccc(F)c1)C1CCN(c2nc(Cc3ccc(Cl)cc3)cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.40
HTR2A P28223 6/20 0.40
HTR2C P28335 5/20 0.40
KCNH2 Q12809 5/20 0.40
DRD2 P14416 4/20 0.40
CTSS P25774 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RORC P51449 1/20 0.35
CCR5 P51681 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL3011199 0.94 GPR6 (0.41) GPR6HTR2AHTR2CKCNH2DRD2
SCHEMBL3004452 0.92 GPR6 (0.39) GPR6HTR2AHTR2CKCNH2DRD2
SCHEMBL3003047 0.92 RAB9A (0.41) HTR2AHTR2CKCNH2DRD2MAPT
SCHEMBL3009945 0.92 GPR6 (0.42) GPR6HTR2AHTR2CKCNH2DRD2
SCHEMBL3017861 0.91 GPR6 (0.39) GPR6HTR2AHTR2CKCNH2DRD2
SCHEMBL2999678 0.91 GPR6 (0.39) GPR6HTR2AHTR2CKCNH2DRD2
SCHEMBL3008818 0.91 GPR6 (0.40) GPR6HTR2AHTR2CKCNH2DRD2
SCHEMBL3014910 0.91 GPR6 (0.42) GPR6HTR2AHTR2CKCNH2DRD2
SCHEMBL3011113 0.91 GPR6 (0.42) GPR6HTR2AHTR2CKCNH2DRD2
SCHEMBL3015341 0.90 GPR6 (0.39) GPR6HTR2AHTR2CKCNH2DRD2

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 752/4885HTR2C 1153/4885

“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.