SCHEMBL3008045

SCHEMBL3008045

CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3nc(Cc4ccc(Cl)c(F)c4)cs3)CC2)c(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
PROKR1 Q8TCW9 3/20 0.38
FPR2 P25090 2/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
FABP4 P15090 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.34

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
SCHEMBL3014217 0.93 CACNA1G (0.39) CACNA1GCACNA1HCACNA1IALDH1A1SMN1; SMN2
SCHEMBL3013070 0.93 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IALDH1A1SMN1; SMN2
SCHEMBL3011364 0.92 LMNA (0.38) PROKR1FPR2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3006975 0.89 FABP4 (0.42) ALDH1A1SMN1; SMN2L3MBTL1DPP8FABP4
SCHEMBL3646534 0.88 FABP4 (0.36) CACNA1GCACNA1HCACNA1IALDH1A1SMN1; SMN2
SCHEMBL3654029 0.87 FABP4 (0.36) PROKR1FPR2ALDH1A1L3MBTL1DPP8
SCHEMBL3018214 0.87 CACNA1G (0.37) CACNA1GCACNA1HCACNA1IPROKR1FPR2
SCHEMBL3011840 0.86 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2L3MBTL1DPP8FABP4
SCHEMBL3013519 0.86 OGA (0.39) ALDH1A1SMN1; SMN2L3MBTL1DPP8FABP4
SCHEMBL3018377 0.86 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2L3MBTL1DPP8FABP4

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-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
EP-2181172-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2010-05-05 EP disclosed
WO-2009024512-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2009-02-26 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 CACNA1G 3093/4885CACNA1H 3804/4885CACNA1I 2345/4885

“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.