SCHEMBL3006906

SCHEMBL3006906

Cc1ccccc1Cc1csc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 6/20 0.43

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
SCHEMBL3102208 0.93 MAPT (0.47) GBA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3007033 0.90 HDAC3 (0.48) GBA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3126777 0.90 USP2 (0.49) GBA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3016283 0.90 HDAC3 (0.46) GBA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3015991 0.87 GBA1 (0.52) GBA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3017462 0.87 ALDH1A1 (0.58) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3014870 0.87 HSD11B1 (0.49) GBA1ALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL3008424 0.86 LIPE (0.37) GBA1MEN1KMT2A
SCHEMBL3016682 0.86 NPSR1 (0.48) GBA1MAPTUSP2ALDH1A1SMN1; SMN2
SCHEMBL3017218 0.86 HDAC3 (0.47) GBA1HDAC3HDAC4HDAC1HDAC7

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 GBA1 4/4885HDAC3 728/4885HDAC4 537/4885

“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.