SCHEMBL3013151

SCHEMBL3013151

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(F)cc4F)CC3)n2)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NAAA Q02083 3/20 0.33
F2RL3 Q96RI0 1/20 0.33
TSHR P16473 1/20 0.33
PIK3CA P42336 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33

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
SCHEMBL3013551 0.92 CTSS (0.42) GPR6ARALDH1A1GAAMAPK1
SCHEMBL3012880 0.92 GPR6 (0.40) GPR6ARALDH1A1MAPK1MAPT
SCHEMBL3013021 0.91 AR (0.39) GPR6ARALDH1A1GAAMAPK1
SCHEMBL3015886 0.90 GPR6 (0.41) GPR6ARALDH1A1MAPK1MAPT
SCHEMBL3020517 0.89 ALDH1A1 (0.41) GPR6ARALDH1A1GAAMAPK1
SCHEMBL3011732 0.88 GPR6 (0.42) GPR6ARALDH1A1MAPK1MAPT
SCHEMBL3013266 0.88 LMNA (0.40) GPR6ALDH1A1MAPK1LMNAHRH3
SCHEMBL3006131 0.87 GPR6 (0.40) GPR6ARMAPTLMNATDP1
SCHEMBL3010134 0.87 GPR6 (0.39) GPR6MAPK1LMNAHRH3NAAA
SCHEMBL3021483 0.86 GPR6 (0.40) GPR6ARALDH1A1GAAMAPK1

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 4245/4885AR 3801/4885ALDH1A1 3510/4885

“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.