SCHEMBL3023399

SCHEMBL3023399

Cc1ccc(C)c(-c2csc(N3CCN(S(=O)(=O)c4ccc(Br)cc4Cl)CC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.55
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3015256 0.90 AR (0.57) ARNFKB1NFKB2RELAMAPT
SCHEMBL3018270 0.90 MEN1 (0.46) ARMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3012748 0.89 AR (0.55) ARNFKB1NFKB2RELAMAPT
SCHEMBL2999125 0.87 AR (0.58) ARNFKB1NFKB2RELAMAPT
SCHEMBL3001137 0.87 AR (0.58) ARNFKB1NFKB2RELAMAPT
SCHEMBL3003134 0.87 SMN1; SMN2 (0.53) MAPTALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL3011127 0.87 SMN1; SMN2 (0.42) ARMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3007683 0.86 AR (0.59) ARNFKB1NFKB2RELAMAPT
SCHEMBL3003965 0.86 AR (0.53) ARNFKB1NFKB2RELAMAPT
SCHEMBL3009035 0.86 AR (0.53) ARNFKB1NFKB2RELAMAPT

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 5 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-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP 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 AR 3801/4885NFKB1 1767/4885NFKB2 2341/4885

“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.