SCHEMBL3015567

SCHEMBL3015567

COc1ccccc1Cc1csc(N2CCC(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
VCAM1 P19320 5/20 0.37
TXNRD1 Q16881 4/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MAPT P10636 4/20 0.35
MAPK1 P28482 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 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

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
SCHEMBL3015117 0.91 VCAM1 (0.36) HSD11B1VCAM1TXNRD1MAPTMAPK1
SCHEMBL3014395 0.91 VCAM1 (0.36) HSD11B1VCAM1TXNRD1MAPTMAPK1
SCHEMBL3018670 0.90 KCNA5 (0.38) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3010866 0.90 MAPT (0.39) VCAM1HTR1AHTR1DHTR1BMAPT
SCHEMBL3003540 0.88 HSD11B1 (0.49) HSD11B1VCAM1MAPTMAPK1TDP1
SCHEMBL3016253 0.88 VCAM1 (0.37) HSD11B1VCAM1TXNRD1HTR1AHTR1D
SCHEMBL3014231 0.88 RAB9A (0.40) HSD11B1VCAM1TXNRD1HTR1AHTR1D
SCHEMBL3006954 0.87 MAPK1 (0.39) HTR1AMAPTMAPK1LMNAMEN1
SCHEMBL3007694 0.87 MAPT (0.41) HTR1AMAPTMAPK1LMNAMEN1
SCHEMBL3006479 0.87 MAPT (0.40) MAPTLMNAMEN1KMT2AALDH1A1

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 HSD11B1 1034/4885VCAM1 3154/4885TXNRD1 137/4885

“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.