SCHEMBL3016253

SCHEMBL3016253

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)cc(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 8/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TXNRD1 Q16881 3/20 0.36
HSD11B1 P28845 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP6 P55212 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSS P25774 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 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
SCHEMBL3014231 0.92 RAB9A (0.40) VCAM1TXNRD1HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL3010737 0.91 VCAM1 (0.38) VCAM1TXNRD1NPBWR1MCHR1ALDH1A1
SCHEMBL3015180 0.90 ERBB2 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3003868 0.89 BMP1 (0.40) VCAM1MEN1KMT2ATXNRD1NPBWR1
SCHEMBL3009108 0.89 VCAM1 (0.40) VCAM1TXNRD1NPBWR1MCHR1ALDH1A1
SCHEMBL3017535 0.88 VCAM1 (0.48) VCAM1HSD11B1NPBWR1MCHR1ALDH1A1
SCHEMBL3003703 0.88 VCAM1 (0.40) VCAM1TXNRD1NPBWR1MCHR1ALDH1A1
SCHEMBL3011352 0.88 KMT2A (0.43) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL3015567 0.88 HSD11B1 (0.38) VCAM1MEN1KMT2ATXNRD1HSD11B1
SCHEMBL3011419 0.87 MAPT (0.40) ALDH1A1SMN1; SMN2GAAMAPK1

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 VCAM1 3154/4885MEN1 454/4885KMT2A 2680/4885

“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.