SCHEMBL3016892

SCHEMBL3016892

COc1cc(-c2csc(N3CCC(S(=O)(=O)c4ccc(Br)cc4Cl)CC3)n2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 8/20 0.42
RAB9A P51151 8/20 0.42
MAPT P10636 6/20 0.42
NPC1 O15118 5/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
CDC25A P30304 1/20 0.38
RECQL P46063 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NTSR1 P30989 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 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
SCHEMBL3006694 0.91 SMN1; SMN2 (0.53) MAPK1ALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL3003843 0.91 MAPK1 (0.53) MAPK1ALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL3013516 0.90 GAA (0.54) MAPK1ALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL3009745 0.90 ALDH1A1 (0.52) MAPK1ALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL3016485 0.90 RAB9A (0.45) MAPK1ALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL3013711 0.89 MAPK1 (0.54) MAPK1ALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL3006890 0.88 SMN1; SMN2 (0.54) MAPK1ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL3017665 0.87 RAB9A (0.47) MAPK1ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL3022136 0.87 MAPK1 (0.54) MAPK1ALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL3017153 0.87 SMN1; SMN2 (0.45) MAPK1ALDH1A1SMN1; SMN2RAB9AMAPT

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.