SCHEMBL3017329

SCHEMBL3017329

O=S(=O)(c1ccccc1Br)C1CCN(c2nc(Cc3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
CTSS P25774 4/20 0.39
CCR1 P32246 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
AR P10275 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.34
HTR6 P50406 1/20 0.34
ACLY P53396 1/20 0.33

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
SCHEMBL3016099 0.92 CTSS (0.42) EPHX2CTSSGAASMN1; SMN2RAB9A
SCHEMBL3006778 0.89 GAA (0.39) EPHX2CTSSGAASMN1; SMN2RAB9A
SCHEMBL3013659 0.88 CTSS (0.42) EPHX2CTSSGAASMN1; SMN2RAB9A
SCHEMBL3009836 0.88 CTSS (0.41) EPHX2CTSSCCR1SMN1; SMN2RAB9A
SCHEMBL3013730 0.88 CTSS (0.41) EPHX2CTSSCCR1GAASMN1; SMN2
SCHEMBL3000548 0.88 GAA (0.38) EPHX2GAASMN1; SMN2RAB9AGRM2
SCHEMBL3001996 0.87 GRM2 (0.37) EPHX2CTSSGAASMN1; SMN2RAB9A
SCHEMBL3012602 0.87 HTR2A (0.45) EPHX2CTSSGAASMN1; SMN2RAB9A
SCHEMBL3011203 0.87 CTSS (0.43) EPHX2CTSS
SCHEMBL3011034 0.86 EPHX2 (0.50) EPHX2SMN1; SMN2TSHRMAPK1HTT

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 EPHX2 4409/4885CTSS 106/4885CCR1 3107/4885

“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.