SCHEMBL3008084

SCHEMBL3008084

CCc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4cc(OC)ccc4OC)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 3/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR3 P51677 2/20 0.37
CCR5 P51681 1/20 0.37
THRB P10828 1/20 0.37
REV1 Q9UBZ9 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2997817 0.95 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10L3MBTL1LMNA
SCHEMBL3016465 0.93 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10L3MBTL1LMNA
SCHEMBL3016470 0.93 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10L3MBTL1LMNA
SCHEMBL3014322 0.93 MAPT (0.38) ALDH1A1HPGDHSD17B10L3MBTL1LMNA
SCHEMBL3004114 0.93 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10L3MBTL1LMNA
SCHEMBL3012043 0.92 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10L3MBTL1LMNA
SCHEMBL3007686 0.92 KMT2A (0.45) ALDH1A1HPGDHSD17B10L3MBTL1LMNA
SCHEMBL3003017 0.92 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10L3MBTL1LMNA
SCHEMBL15671708 0.91 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10L3MBTL1LMNA
SCHEMBL3018358 0.90 HTT (0.39) ALDH1A1HPGDL3MBTL1LMNAHTT

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 3510/4885HPGD 2894/4885HSD17B10 2553/4885

“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.