SCHEMBL3011509

SCHEMBL3011509

Cc1cc(C)c(Cc2csc(N3CCN(S(=O)(=O)c4c(C(C)C)cc(C(C)C)cc4C(C)C)CC3)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
EPHX2 P34913 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FABP4 P15090 3/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
OGA O60502 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3001916 0.92 DPP8 (0.40) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3015370 0.90 ALDH1A1 (0.41) ALDH1A1TSHRPIK3CDPIK3CAPIK3CB
SCHEMBL3018377 0.88 ALDH1A1 (0.40) ALDH1A1TSHRPIK3CDPIK3CAPIK3CB
SCHEMBL3020591 0.87 NPSR1 (0.48) ALDH1A1TSHRNPSR1KMT2AMEN1
SCHEMBL3644721 0.86 TRPV4 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGDPP8
SCHEMBL3019563 0.86 ALDH1A1 (0.38) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3011668 0.86 DPP8 (0.41) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3011840 0.86 ALDH1A1 (0.39) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3005123 0.85 ALDH1A1 (0.34) ALDH1A1FABP4KMT2AMEN1OGA
SCHEMBL3008179 0.85 DPP8 (0.39) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG

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 ALDH1A1 3510/4885TSHR 3320/4885PIK3CD 1507/4885

“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.