SCHEMBL3020441

SCHEMBL3020441

COc1ccc(OC)c(S(=O)(=O)C2CCN(c3nc(Cc4c(C)cccc4C)cs3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
HTR6 P50406 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
REV1 Q9UBZ9 1/20 0.36

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
SCHEMBL3006747 0.93 L3MBTL1 (0.46) ALDH1A1MAPTRECQLL3MBTL1HSD17B10
SCHEMBL3015668 0.93 MAPT (0.39) ALDH1A1MAPTRECQLL3MBTL1HSD17B10
SCHEMBL2999613 0.91 MAPT (0.44) ALDH1A1MAPTRECQLL3MBTL1HSD17B10
SCHEMBL3016058 0.91 MAPK1 (0.39) ALDH1A1MAPTRECQLHPGDRAB9A
SCHEMBL3015964 0.91 GAA (0.39) ALDH1A1MAPTRECQLL3MBTL1SMN1; SMN2
SCHEMBL3018728 0.91 ALDH1A1 (0.43) ALDH1A1MAPTRECQLL3MBTL1HSD17B10
SCHEMBL3013336 0.89 ALDH1A1 (0.43) ALDH1A1MAPTRECQLL3MBTL1HSD17B10
SCHEMBL3009529 0.88 ALDH1A1 (0.41) ALDH1A1MAPTRECQLL3MBTL1HSD17B10
SCHEMBL3007686 0.88 KMT2A (0.45) ALDH1A1MAPTL3MBTL1HSD17B10HPGD
SCHEMBL3014447 0.88 ALDH1A1 (0.43) ALDH1A1MAPTRECQLL3MBTL1HSD17B10

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 3510/4885MAPT 18/4885RECQL 1564/4885

“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.