SCHEMBL3016736

SCHEMBL3016736

CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3nc(Cc4cc(F)cc(Cl)c4)cs3)CC2)c(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FABP4 P15090 2/20 0.36
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
USP2 O75604 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
PSEN1 P49768 1/20 0.33

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
SCHEMBL3018313 0.94 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2L3MBTL1FABP4MAPK1
SCHEMBL3650838 0.94 FABP4 (0.38) ALDH1A1SMN1; SMN2L3MBTL1FABP4MAPK1
SCHEMBL3014217 0.88 CACNA1G (0.39) ALDH1A1SMN1; SMN2L3MBTL1FABP4MAPK1
SCHEMBL3006975 0.87 FABP4 (0.42) ALDH1A1SMN1; SMN2L3MBTL1FABP4MAPK1
SCHEMBL3019949 0.86 HRH3 (0.32) ALDH1A1FABP4CACNA1GCACNA1HCACNA1I
SCHEMBL3022517 0.86 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2L3MBTL1MAPK1MAPT
SCHEMBL3008045 0.86 CACNA1G (0.39) ALDH1A1SMN1; SMN2L3MBTL1FABP4MAPK1
SCHEMBL3013070 0.86 CACNA1G (0.44) ALDH1A1SMN1; SMN2L3MBTL1FABP4MAPK1
SCHEMBL3015370 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1FABP4MAPK1
SCHEMBL3646534 0.85 FABP4 (0.36) ALDH1A1SMN1; SMN2L3MBTL1FABP4MAPK1

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 ALDH1A1 3510/4885SMN1; SMN2 1/4885L3MBTL1 1847/4885

“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.