SCHEMBL2998933

SCHEMBL2998933

O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(c3nc(Cc4cc(F)cc(F)c4)cs3)CC2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.49
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP17A1 P05093 1/20 0.42
CYP21A2 P08686 1/20 0.42
CYP11B1 P15538 1/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RECQL P46063 2/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 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
SCHEMBL3649645 0.97 VCAM1 (0.46) VCAM1NPBWR1MCHR1SMN1; SMN2ALDH1A1
SCHEMBL3016494 0.96 VCAM1 (0.47) VCAM1NPBWR1MCHR1SMN1; SMN2ALDH1A1
SCHEMBL3650759 0.91 VCAM1 (0.43) VCAM1NPBWR1MCHR1SMN1; SMN2ALDH1A1
SCHEMBL3019766 0.91 VCAM1 (0.51) VCAM1NPBWR1MCHR1SMN1; SMN2ALDH1A1
SCHEMBL3013323 0.90 VCAM1 (0.48) VCAM1NPBWR1MCHR1SMN1; SMN2ALDH1A1
SCHEMBL3019772 0.90 VCAM1 (0.48) VCAM1NPBWR1MCHR1SMN1; SMN2ALDH1A1
SCHEMBL3015121 0.90 VCAM1 (0.48) VCAM1NPBWR1MCHR1SMN1; SMN2ALDH1A1
SCHEMBL3013222 0.89 VCAM1 (0.52) VCAM1NPBWR1MCHR1SMN1; SMN2ALDH1A1
SCHEMBL3007276 0.89 VCAM1 (0.51) VCAM1NPBWR1MCHR1SMN1; SMN2ALDH1A1
SCHEMBL3012868 0.89 VCAM1 (0.51) VCAM1NPBWR1MCHR1SMN1; SMN2ALDH1A1

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 VCAM1 3154/4885NPBWR1 782/4885MCHR1 3574/4885

“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.