SCHEMBL3000548

SCHEMBL3000548

O=S(=O)(c1cc(Cl)ccc1Cl)C1CCN(c2nc(Cc3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 2/20 0.38
AR P10275 1/20 0.38
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ACHE P22303 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL3006778 0.93 GAA (0.39) GAAEPHX2ARMAPTRAB9A
SCHEMBL3016099 0.92 CTSS (0.42) GAAEPHX2ARRECQLMAPT
SCHEMBL3006085 0.90 GAA (0.38) GAAALDH1A1ARTSHRALOX15
SCHEMBL3012479 0.90 MAPT (0.39) GAAALDH1A1EPHX2ARTSHR
SCHEMBL3018584 0.90 EPHX2 (0.42) GAAEPHX2ARMAPTCNR1
SCHEMBL3003808 0.89 EPHX2 (0.46) GAAALDH1A1EPHX2ARMAPT
SCHEMBL3018929 0.89 EPHX2 (0.42) GAAALDH1A1EPHX2ARMAPT
SCHEMBL3002902 0.89 TP53 (0.41) ALDH1A1TSHRMAPTHTTRAB9A
SCHEMBL3013659 0.89 CTSS (0.42) GAAEPHX2ARMAPTRAB9A
SCHEMBL3022234 0.88 RECQL (0.39) GAAALDH1A1TSHRALOX15L3MBTL1

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 GAA 110/4885ALDH1A1 3510/4885EPHX2 4409/4885

“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.