SCHEMBL2998087

SCHEMBL2998087

Cc1cc(C)c(Cc2csc(N3CCC(S(=O)(=O)c4cccc(F)c4)CC3)n2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GPR6 P46095 2/20 0.40
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
RAB9A P51151 2/20 0.35
GRM5 P41594 1/20 0.35
NPC1 O15118 1/20 0.35
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
KCNH2 Q12809 4/20 0.35
DRD2 P14416 2/20 0.35
LMNA P02545 1/20 0.34
DNM1L O00429 5/20 0.34
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GBA1 P04062 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
SCHEMBL3023017 0.94 ALDH1A1 (0.43) ALDH1A1GPR6MAPTTP53RAB9A
SCHEMBL3009459 0.90 GPR6 (0.42) ALDH1A1GPR6MAPTTP53RAB9A
SCHEMBL3007065 0.90 SMN1; SMN2 (0.39) ALDH1A1GPR6MAPTRAB9ANPC1
SCHEMBL3008159 0.89 RAB9A (0.39) MAPTTP53RAB9AGRM5NPC1
SCHEMBL3011257 0.89 TP53 (0.35) ALDH1A1MAPTTP53RAB9ANPC1
SCHEMBL3016079 0.89 CTSS (0.45) ALDH1A1MAPTRAB9ANPC1GBA1
SCHEMBL3011113 0.88 GPR6 (0.42) ALDH1A1GPR6MAPTTP53RAB9A
SCHEMBL3003062 0.88 GRM5 (0.40) ALDH1A1GPR6MAPTTP53RAB9A
SCHEMBL3005335 0.87 GPR6 (0.41) ALDH1A1GPR6MAPTTP53RAB9A
SCHEMBL3002356 0.87 GPR6 (0.40) ALDH1A1GPR6MAPTTP53RAB9A

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 ALDH1A1 3510/4885GPR6 4245/4885MAPT 18/4885

“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.