SCHEMBL3023017

SCHEMBL3023017

Cc1cccc(C)c1Cc1csc(N2CCC(S(=O)(=O)c3cccc(F)c3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
GPR6 P46095 2/20 0.41
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
KCNH2 Q12809 4/20 0.36
DRD2 P14416 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
GRM5 P41594 1/20 0.35
USP2 O75604 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EED O75530 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
SCHEMBL2998087 0.94 ALDH1A1 (0.42) ALDH1A1GPR6RAB9ANPC1HTR2A
SCHEMBL3002356 0.91 GPR6 (0.40) ALDH1A1GPR6RAB9ANPC1HTR2A
SCHEMBL3007172 0.90 MAPT (0.41) ALDH1A1GPR6RAB9ANPC1HTR2A
SCHEMBL3013735 0.90 GPR6 (0.39) ALDH1A1GPR6RAB9ANPC1HTR2A
SCHEMBL3013064 0.89 NPC1 (0.35) RAB9ANPC1DRD2SMN1; SMN2LMNA
SCHEMBL3001213 0.89 RAB9A (0.40) RAB9ANPC1HTR2AHTR2CSMN1; SMN2
SCHEMBL3013778 0.88 GPR6 (0.41) ALDH1A1GPR6RAB9ANPC1HTR2A
SCHEMBL3013463 0.88 CTSS (0.46) ALDH1A1RAB9ANPC1MAPT
SCHEMBL3011113 0.88 GPR6 (0.42) ALDH1A1GPR6RAB9ANPC1HTR2A
SCHEMBL3009459 0.88 GPR6 (0.42) ALDH1A1GPR6RAB9ANPC1HTR2A

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 4245/4885RAB9A 2943/4885

“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.