SCHEMBL3016927

SCHEMBL3016927

COc1cc(-c2csc(N3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)n2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPK1 P28482 4/20 0.56
GAA P10253 2/20 0.56
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
MAPT P10636 7/20 0.48
RECQL P46063 2/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 6/20 0.46
TSHR P16473 3/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 3/20 0.45

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
SCHEMBL3016151 0.94 ALDH1A1 (0.56) ALDH1A1MAPK1GAACYP3A4CYP2C19
SCHEMBL3009920 0.93 ALDH1A1 (0.56) ALDH1A1MAPK1GAACYP3A4CYP2C19
SCHEMBL3003590 0.91 MAPT (0.58) ALDH1A1MAPK1GAACYP3A4CYP2C19
SCHEMBL3020375 0.90 ALDH1A1 (0.57) ALDH1A1MAPK1GAAMAPTRECQL
SCHEMBL3017468 0.89 MAPT (0.56) ALDH1A1MAPK1GAACYP3A4CYP2C19
SCHEMBL3008692 0.89 MAPT (0.58) ALDH1A1MAPK1GAAMAPTRECQL
SCHEMBL3002441 0.88 ALDH1A1 (0.52) ALDH1A1MAPK1GAACYP3A4CYP2C19
SCHEMBL15671710 0.88 MAPK1 (0.53) ALDH1A1MAPK1GAACYP3A4CYP2C19
SCHEMBL3008263 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1GAACYP3A4CYP2C19
SCHEMBL3007942 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1GAACYP3A4CYP2C19

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 3510/4885MAPK1 2767/4885GAA 110/4885

“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.