SCHEMBL3013311

SCHEMBL3013311

COc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4c(C(C)C)cc(C(C)C)cc4C(C)C)CC3)n2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
RECQL P46063 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 4/20 0.38
USP2 O75604 3/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD11B1 P28845 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL3019251 0.90 ALDH1A1 (0.38) ALDH1A1RECQLNPSR1USP2HSD17B10
SCHEMBL3018861 0.89 KMT2A (0.41) ALDH1A1RECQLPKMTSHRUSP2
SCHEMBL3022621 0.87 MAPT (0.40) ALDH1A1RECQLNPSR1USP2HSD17B10
SCHEMBL3006389 0.87 ALDH1A1 (0.41) ALDH1A1RECQLNPSR1PKMTSHR
SCHEMBL3017999 0.87 MAPT (0.47) ALDH1A1RECQLTSHRUSP2HSD17B10
SCHEMBL3011364 0.86 LMNA (0.38) ALDH1A1LMNAMAPK1SMN1; SMN2DPP8
SCHEMBL3011840 0.86 ALDH1A1 (0.39) ALDH1A1RECQLUSP2HSD17B10LMNA
SCHEMBL3012065 0.86 MAPT (0.40) ALDH1A1RECQLNPSR1PKMTSHR
SCHEMBL3018377 0.86 ALDH1A1 (0.40) ALDH1A1PKMTSHRLMNAMAPK1
SCHEMBL3013519 0.86 OGA (0.39) ALDH1A1RECQLUSP2HSD17B10LMNA

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 3510/4885RECQL 1564/4885NPSR1 764/4885

“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.