SCHEMBL3017432

SCHEMBL3017432

COc1ccccc1-c1csc(N2CCC(S(=O)(=O)c3ccccc3C#N)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.44
AR P10275 1/20 0.44
UCHL1 P09936 1/20 0.43
USP30 Q70CQ3 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CTSS P25774 2/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDC25C P30307 1/20 0.38
DUSP3 P51452 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3011896 0.91 REV1 (0.49) KMT2APKMARSMN1; SMN2DRD2
SCHEMBL3007941 0.91 AR (0.45) KMT2APKMARSMN1; SMN2DRD2
SCHEMBL3014996 0.88 SMN1; SMN2 (0.42) KMT2AARSMN1; SMN2DRD2HTR2A
SCHEMBL3012825 0.87 ALDH1A1 (0.52) KMT2APKMSMN1; SMN2DRD2HTR2A
SCHEMBL3003508 0.87 SMN1; SMN2 (0.53) KMT2APKMSMN1; SMN2RAB9ANPC1
SCHEMBL3016484 0.86 AR (0.46) KMT2AARUCHL1USP30SMN1; SMN2
SCHEMBL3008039 0.86 AR (0.46) KMT2AARUCHL1USP30SMN1; SMN2
SCHEMBL3016406 0.85 MAPT (0.58) KMT2AARSMN1; SMN2RAB9ANPC1
SCHEMBL3011706 0.85 SMN1; SMN2 (0.41) KMT2AARSMN1; SMN2DRD2HTR2A
SCHEMBL3008205 0.85 PKM (0.62) KMT2APKMARSMN1; SMN2MAPT

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 KMT2A 2680/4885PKM 1047/4885AR 3801/4885

“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.