SCHEMBL3017535

SCHEMBL3017535

COc1cc(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.48
HSD11B1 P28845 1/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
RAB9A P51151 2/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP21A2 P08686 1/20 0.39
CYP11B1 P15538 1/20 0.39

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
SCHEMBL3012563 0.92 RAB9A (0.51) VCAM1HSD11B1NPBWR1MCHR1RAB9A
SCHEMBL3016965 0.90 VCAM1 (0.49) VCAM1HSD11B1NPBWR1MCHR1RAB9A
SCHEMBL3012681 0.90 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL3010081 0.88 VCAM1 (0.49) VCAM1HSD11B1NPBWR1MCHR1ALDH1A1
SCHEMBL3002600 0.88 KMT2A (0.47) HSD11B1ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3016253 0.88 VCAM1 (0.37) VCAM1HSD11B1NPBWR1MCHR1ALDH1A1
SCHEMBL3013222 0.87 VCAM1 (0.52) VCAM1HSD11B1NPBWR1MCHR1ALDH1A1
SCHEMBL3017960 0.87 MAPT (0.45) ALDH1A1SMN1; SMN2LMNAGAAL3MBTL1
SCHEMBL3019766 0.87 VCAM1 (0.51) VCAM1HSD11B1NPBWR1MCHR1ALDH1A1
SCHEMBL3003540 0.87 HSD11B1 (0.49) VCAM1HSD11B1NPBWR1MCHR1ALDH1A1

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 7 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
EP-2195284-A1 PROCESS FOR PREPARING 2-DIHALOACYL-3-AMINOACRYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2010-06-16 EP disclosed
EP-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
WO-2009043444-A1 PROCESS FOR PREPARING 2-DIHALOACYL-3-AMINOACRYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-04-09 WO disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 WO 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 3154/4885HSD11B1 1034/4885NPBWR1 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.