SCHEMBL3021695

SCHEMBL3021695

COc1ccccc1Cc1csc(N2CCC(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.40
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.34
P2RX7 Q99572 2/20 0.34
OPRK1 P41145 1/20 0.34
CCR4 P51679 1/20 0.34
HTR7 P34969 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN9A Q15858 1/20 0.34
EPHX2 P34913 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
SCHEMBL3018577 0.94 CTSS (0.40) CTSSTSHRHTTSMN1; SMN2KMT2A
SCHEMBL3011682 0.90 CTSS (0.38) CTSSTSHRHTTSMN1; SMN2MAPT
SCHEMBL3007603 0.90 CTSS (0.38) CTSSTSHRSMN1; SMN2KMT2AMAPT
SCHEMBL3016119 0.89 CTSS (0.42) CTSSSMN1; SMN2KMT2AMAPTP2RX7
SCHEMBL3012653 0.88 MEN1 (0.37) CTSSKMT2AMAPTHTR7
SCHEMBL3002832 0.88 TP53 (0.38) TSHRHTTSMN1; SMN2KMT2AMAPT
SCHEMBL3018934 0.87 DRD2 (0.40) TSHRHTTSMN1; SMN2KMT2AMAPT
SCHEMBL3020354 0.87 SMN1; SMN2 (0.43) TSHRHTTSMN1; SMN2KMT2AMAPT
SCHEMBL3015248 0.87 CTSS (0.39) CTSSHTTKMT2AMAPTEPHX2
SCHEMBL3018893 0.86 CTSS (0.39) CTSSKMT2ACCR4

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 CTSS 106/4885TSHR 3320/4885HTT 2/4885

“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.