SCHEMBL3016944

SCHEMBL3016944

COc1ccc(OC)c(-c2csc(N3CCC(S(=O)(=O)c4cc(OC)ccc4OC)CC3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.54
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 7/20 0.45
AR P10275 1/20 0.45
NPC1 O15118 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 4/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL15671685 0.94 REV1 (0.50) REV1RAB9ASMN1; SMN2MAPTAR
SCHEMBL3014134 0.94 REV1 (0.50) REV1RAB9ASMN1; SMN2MAPTAR
SCHEMBL3016536 0.93 REV1 (0.49) REV1RAB9ASMN1; SMN2MAPTAR
SCHEMBL3006321 0.93 AR (0.51) REV1RAB9ASMN1; SMN2MAPTAR
SCHEMBL3007727 0.93 REV1 (0.53) REV1RAB9ASMN1; SMN2MAPTAR
SCHEMBL3006738 0.90 REV1 (0.54) REV1RAB9ASMN1; SMN2MAPTAR
SCHEMBL3002190 0.90 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL3005272 0.90 REV1 (0.46) REV1RAB9ASMN1; SMN2MAPTAR
SCHEMBL3003970 0.89 SMN1; SMN2 (0.52) REV1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL3013860 0.89 REV1 (0.51) REV1RAB9ASMN1; SMN2MAPTAR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 REV1 4692/4885RAB9A 2943/4885SMN1; 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.