SCHEMBL3009596

SCHEMBL3009596

O=[N+]([O-])c1cc(S(=O)(=O)C2CCN(c3nc(Cc4ccc(Cl)cc4)cs3)CC2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 11/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GSR P00390 1/20 0.35
TXNRD1 Q16881 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3009108 0.94 VCAM1 (0.40) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL3014774 0.93 VCAM1 (0.40) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL3012038 0.93 VCAM1 (0.40) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL3018148 0.93 VCAM1 (0.42) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL3022126 0.93 VCAM1 (0.39) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL3010192 0.92 VCAM1 (0.37) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL3001978 0.92 VCAM1 (0.39) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL3013944 0.92 VCAM1 (0.37) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL3003868 0.91 BMP1 (0.40) VCAM1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL3012603 0.91 VCAM1 (0.37) VCAM1NPBWR1MCHR1KDM4EALDH1A1

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 3154/4885NPBWR1 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.