SCHEMBL3008367

SCHEMBL3008367

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
MAPT P10636 3/20 0.49
USP2 O75604 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.46

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
SCHEMBL3006931 0.88 AR (0.64) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3020270 0.88 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2L3MBTL1HDAC3HDAC4
SCHEMBL3018002 0.88 HSD17B10 (0.58) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3006498 0.87 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2L3MBTL1HDAC3HDAC4
SCHEMBL3018986 0.86 AR (0.51) ARALDH1A1SMN1; SMN2L3MBTL1HDAC3
SCHEMBL3022480 0.86 SMN1; SMN2 (0.69) ARALDH1A1SMN1; SMN2L3MBTL1HDAC3
SCHEMBL3013101 0.84 AR (0.59) ARALDH1A1SMN1; SMN2L3MBTL1HDAC3
SCHEMBL3012928 0.84 AR (0.59) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3010340 0.84 SMN1; SMN2 (0.61) ARALDH1A1SMN1; SMN2L3MBTL1HDAC3
SCHEMBL3017023 0.84 ALDH1A1 (0.60) ARALDH1A1SMN1; SMN2L3MBTL1HDAC3

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 3801/4885ALDH1A1 3510/4885SMN1; SMN2 1/4885

“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.