SCHEMBL3017560

SCHEMBL3017560

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccccc4C#N)CC3)n2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSS P25774 2/20 0.34
HTR7 P34969 1/20 0.34
ENPP1 P22413 3/20 0.34
DPP4 P27487 1/20 0.33
RET P07949 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
TP53 P04637 1/20 0.33
HRH1 P35367 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL3019436 0.92 DRD2 (0.39) DRD2HTR2AHTR2CKCNH2PKM
SCHEMBL3010377 0.89 DRD2 (0.41) DRD2HTR2AHTR2CKCNH2PKM
SCHEMBL3014368 0.89 MAPT (0.40) DRD2HTR2AHTR2CKCNH2PKM
SCHEMBL3015476 0.88 DRD2 (0.40) DRD2HTR2AHTR2CKCNH2PKM
SCHEMBL3012728 0.87 HTR7 (0.41) MAPTNPC1RAB9ASMN1; SMN2CTSS
SCHEMBL3017061 0.87 CTSS (0.38) DRD2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3017613 0.87 DRD2 (0.43) DRD2HTR2AHTR2CKCNH2PKM
SCHEMBL3003859 0.87 DRD2 (0.41) DRD2HTR2AHTR2CKCNH2SMN1; SMN2
SCHEMBL3014359 0.87 DRD2 (0.42) DRD2HTR2AHTR2CKCNH2PKM
SCHEMBL3012927 0.87 PKM (0.53) PKMMAPTSMN1; SMN2F2RL3KDM4E

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 DRD2 573/4885HTR2A 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.