SCHEMBL3020323

SCHEMBL3020323

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)n2)cc(OC)c1OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2RL3 Q96RI0 4/20 0.33
TP53 P04637 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
CHRM5 P08912 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL3018365 0.91 SMN1; SMN2 (0.36) ALDH1A1GAAMAPK1KMT2ATSHR
SCHEMBL3003770 0.90 F2RL3 (0.35) KMT2ATSHRSMN1; SMN2F2RL3CHRM5
SCHEMBL3016779 0.89 TP53 (0.45) ALDH1A1GAAMAPK1KMT2ATSHR
SCHEMBL3007705 0.89 CHRM5 (0.35) GAAMAPK1KMT2ASMN1; SMN2CHRM5
SCHEMBL3015458 0.88 MAPT (0.36) ALDH1A1GAAMAPK1KMT2ASMN1; SMN2
SCHEMBL3014619 0.88 CYP3A4 (0.39) ALDH1A1GAAMAPK1KMT2ATSHR
SCHEMBL3015088 0.88 CHRM5 (0.35) CHRM5HRH3
SCHEMBL3020081 0.87 RAB9A (0.38) ALDH1A1GAAKMT2ASMN1; SMN2F2RL3
SCHEMBL3016132 0.87 MEN1 (0.39) ALDH1A1GAAMAPK1KMT2ASMN1; SMN2
SCHEMBL3017066 0.87 DRD2 (0.35) ALDH1A1GAAMAPK1KMT2ASMN1; SMN2

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 ALDH1A1 3510/4885GAA 110/4885MAPK1 2767/4885

“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.