SCHEMBL3019927

SCHEMBL3019927

COc1cc(-c2csc(N3CCC(S(=O)(=O)c4c(C(C)C)cc(C(C)C)cc4C(C)C)CC3)n2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 5/20 0.41
RECQL P46063 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NTSR1 P30989 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AR P10275 1/20 0.36
NEK2 P51955 3/20 0.35
PLK1 P53350 1/20 0.35
NEK1 Q96PY6 1/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL3018661 0.90 SMN1; SMN2 (0.54) MAPK1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL3010531 0.89 SMN1; SMN2 (0.44) MAPK1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL3008234 0.86 SMN1; SMN2 (0.55) MAPK1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL3010548 0.86 SMN1; SMN2 (0.41) MAPK1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL3014309 0.86 SMN1; SMN2 (0.43) MAPK1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL3014892 0.86 ALDH1A1 (0.37) MAPK1ALDH1A1GAAKDM4E
SCHEMBL3014678 0.85 ALDH1A1 (0.55) MAPK1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL3013356 0.85 MAPK1 (0.42) MAPK1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL3004587 0.85 AR (0.45) MAPK1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL3014196 0.84 MAPT (0.53) MAPK1ALDH1A1GAASMN1; SMN2MAPT

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 MAPK1 2767/4885ALDH1A1 3510/4885GAA 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.