SCHEMBL3016935

SCHEMBL3016935

COc1ccc(OC)c(S(=O)(=O)C2CCN(c3nc(Cc4cc(C)ccc4C)cs3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 4/20 0.38
RECQL P46063 1/20 0.38
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 4/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 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
SCHEMBL3021270 0.93 MAPT (0.37) L3MBTL1HTTNPSR1ALDH1A1HPGD
SCHEMBL3016068 0.92 MAPK1 (0.38) HTTALDH1A1HPGDMAPTMAPK1
SCHEMBL3012540 0.91 GAA (0.38) HTTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL3018728 0.91 ALDH1A1 (0.43) L3MBTL1HTTALDH1A1HPGDHSD17B10
SCHEMBL3014447 0.90 ALDH1A1 (0.43) L3MBTL1HTTALDH1A1HPGDHSD17B10
SCHEMBL3004114 0.89 ALDH1A1 (0.43) L3MBTL1HTTNPSR1ALDH1A1HPGD
SCHEMBL3010895 0.89 MAPT (0.42) L3MBTL1HTTALDH1A1HPGDHSD17B10
SCHEMBL3006747 0.88 L3MBTL1 (0.46) L3MBTL1HTTNPSR1ALDH1A1HPGD
SCHEMBL2999613 0.88 MAPT (0.44) L3MBTL1HTTALDH1A1HPGDHSD17B10
SCHEMBL3000596 0.87 ALDH1A1 (0.42) L3MBTL1HTTNPSR1ALDH1A1HPGD

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 L3MBTL1 1847/4885HTT 2/4885NPSR1 764/4885

“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.