SCHEMBL3002108

SCHEMBL3002108

COc1ccc(OC)c(Cc2csc(N3CCC(S(=O)(=O)c4cc(Cl)ccc4OC)CC3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR6 P50406 1/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
ADRB2 P07550 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
ALPL P05186 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
SCHEMBL3017937 0.95 TP53 (0.39) ALDH1A1HPGDHSD17B10L3MBTL1TP53
SCHEMBL3014447 0.95 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL3011425 0.94 MAPT (0.39) ALDH1A1HPGDHSD17B10L3MBTL1TP53
SCHEMBL3021636 0.93 SMN1; SMN2 (0.37) ALDH1A1HPGDHSD17B10L3MBTL1TP53
SCHEMBL3017810 0.92 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10L3MBTL1TP53
SCHEMBL3007820 0.91 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10L3MBTL1TP53
SCHEMBL3008649 0.91 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10L3MBTL1TP53
SCHEMBL3018934 0.90 DRD2 (0.40) ALDH1A1HPGDL3MBTL1TP53SMN1; SMN2
SCHEMBL3020144 0.90 RAB9A (0.38) ALDH1A1HPGDHSD17B10L3MBTL1TP53
SCHEMBL3001553 0.90 CMA1 (0.41) ALDH1A1HPGDHSD17B10L3MBTL1TP53

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.