SCHEMBL3014963

SCHEMBL3014963

CCOc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4cccc(F)c4)CC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.40
CCR5 P51681 4/20 0.39
KCNH2 Q12809 4/20 0.38
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD2 P14416 2/20 0.35
KCNQ1 P51787 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL3018482 0.91 SMN1; SMN2 (0.43) GPR6CCR5ALDH1A1LMNAMAPT
SCHEMBL3014910 0.90 GPR6 (0.42) GPR6CCR5KCNH2HTR2AHTR2C
SCHEMBL3006480 0.90 LMNA (0.41) LMNAMAPTTP53SMN1; SMN2KDM4E
SCHEMBL3017067 0.90 RORC (0.37) GPR6LMNAMAPTTP53SMN1; SMN2
SCHEMBL3017393 0.90 TP53 (0.43) GPR6KCNH2HTR2AHTR2CALDH1A1
SCHEMBL3014277 0.89 CTSS (0.44) ALDH1A1LMNAMAPTTP53KDM4E
SCHEMBL3008077 0.89 GPR6 (0.41) GPR6CCR5KCNH2HTR2AHTR2C
SCHEMBL3011113 0.89 GPR6 (0.42) GPR6CCR5KCNH2HTR2AHTR2C
SCHEMBL3009945 0.88 GPR6 (0.42) GPR6KCNH2HTR2AHTR2CALDH1A1
SCHEMBL3013107 0.87 AR (0.38) CCR5LMNAMAPTTP53SMN1; SMN2

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 4245/4885CCR5 1776/4885KCNH2 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.