SCHEMBL3003540

SCHEMBL3003540

COc1ccccc1Cc1csc(N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
VCAM1 P19320 3/20 0.48
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
LMNA P02545 5/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
USP2 O75604 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3649188 0.93 HSD11B1 (0.43) HSD11B1VCAM1NPBWR1MCHR1LMNA
SCHEMBL3016440 0.90 VCAM1 (0.46) HSD11B1VCAM1NPBWR1MCHR1LMNA
SCHEMBL3017953 0.90 VCAM1 (0.46) HSD11B1VCAM1NPBWR1MCHR1LMNA
SCHEMBL3006909 0.90 HSD17B10 (0.47) HSD11B1LMNAMAPTMAPK1L3MBTL1
SCHEMBL3006034 0.89 VCAM1 (0.50) HSD11B1VCAM1NPBWR1MCHR1LMNA
SCHEMBL3015567 0.88 HSD11B1 (0.38) HSD11B1VCAM1NPBWR1MCHR1LMNA
SCHEMBL3015321 0.88 ALDH1A1 (0.49) HSD11B1LMNAMAPTUSP2HSD17B10
SCHEMBL3005087 0.87 MAPT (0.46) HSD11B1LMNAMAPTL3MBTL1USP2
SCHEMBL3015412 0.87 MEN1 (0.54) LMNAMAPTMAPK1L3MBTL1USP2
SCHEMBL3017535 0.87 VCAM1 (0.48) HSD11B1VCAM1NPBWR1MCHR1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
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 3154/4885NPBWR1 782/4885

“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.