SCHEMBL2997726

SCHEMBL2997726

COc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4cc(Br)ccc4OC)CC3)n2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
ALDH1A1 P00352 6/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 3/20 0.42
USP2 O75604 2/20 0.42
RECQL P46063 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL3653214 0.93 GAA (0.45) GAAALDH1A1ALOX15KMT2AUSP2
SCHEMBL3007150 0.92 GAA (0.49) GAAALDH1A1ALOX15KMT2AUSP2
SCHEMBL3003625 0.92 GAA (0.42) GAAALDH1A1TSHRMAPTHDAC3
SCHEMBL3007202 0.92 GAA (0.49) GAAALDH1A1ALOX15KMT2AUSP2
SCHEMBL3011626 0.92 GAA (0.51) GAAALDH1A1ALOX15KMT2AUSP2
SCHEMBL3016452 0.92 GAA (0.51) GAAALDH1A1ALOX15KMT2AUSP2
SCHEMBL2998195 0.92 GAA (0.51) GAAALDH1A1ALOX15KMT2AUSP2
SCHEMBL3013091 0.92 GAA (0.51) GAAALDH1A1ALOX15KMT2AUSP2
SCHEMBL3015574 0.92 GAA (0.51) GAAALDH1A1ALOX15KMT2AUSP2
SCHEMBL3022804 0.91 GAA (0.48) GAAALDH1A1ALOX15KMT2AUSP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
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 GAA 110/4885ALDH1A1 3510/4885ALOX15 2079/4885

“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.