SCHEMBL3018627

SCHEMBL3018627

COc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
RECQL P46063 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 2/20 0.53
NTSR1 P30989 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 7/20 0.51
LMNA P02545 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 3/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 4/20 0.48
GBA1 P04062 2/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.42

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
SCHEMBL3018535 0.91 PKM (0.56) PKMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3014968 0.88 ALDH1A1 (0.55) PKMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3015548 0.88 MAPT (0.66) PKMMAPTSMN1; SMN2RECQLALDH1A1
SCHEMBL3011193 0.87 MAPT (0.56) PKMMAPTSMN1; SMN2RECQLL3MBTL1
SCHEMBL3018719 0.87 MAPT (0.59) MAPTSMN1; SMN2NPC1RAB9ARECQL
SCHEMBL3017781 0.86 ALDH1A1 (0.53) PKMMAPTSMN1; SMN2RECQLL3MBTL1
SCHEMBL3021320 0.86 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9ARECQL
SCHEMBL3008205 0.86 PKM (0.62) PKMMAPTSMN1; SMN2RECQLL3MBTL1
SCHEMBL3003508 0.86 SMN1; SMN2 (0.53) PKMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3002723 0.86 PKM (0.54) PKMMAPTSMN1; SMN2RECQLL3MBTL1

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 PKM 1047/4885MAPT 18/4885SMN1; 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.