SCHEMBL3010744

SCHEMBL3010744

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)n2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.38
PTGDR Q13258 5/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.37
GAA P10253 2/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
PDE5A O76074 1/20 0.34

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
SCHEMBL3017001 0.93 TP53 (0.40) HTR7GAATP53MAPTALDH1A1
SCHEMBL3019226 0.93 TP53 (0.39) HTR7GAATP53MAPTALDH1A1
SCHEMBL3008114 0.92 CTSS (0.42) HTR7TP53MAPTALDH1A1RAB9A
SCHEMBL3019701 0.92 DRD2 (0.37) HTR7GAAMAPTALDH1A1RAB9A
SCHEMBL3015458 0.92 MAPT (0.36) GAATP53MAPTALDH1A1RAB9A
SCHEMBL3012728 0.91 HTR7 (0.41) HTR7GAATP53MAPTALDH1A1
SCHEMBL3007912 0.90 SMN1; SMN2 (0.38) GAAMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL3018365 0.89 SMN1; SMN2 (0.36) HTR7GAATP53MAPTALDH1A1
SCHEMBL3014222 0.89 MAPT (0.43) HTR7GAATP53MAPTALDH1A1
SCHEMBL3006012 0.88 MAPT (0.39) GAAMAPTRAB9ASMN1; SMN2NPC1

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 HTR7 1836/4885PTGDR 3023/4885PTGDR2 2676/4885

“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.