SCHEMBL3016552

SCHEMBL3016552

Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc(Cc4cccc(Br)c4)cs3)CC2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
EBP Q15125 1/20 0.40
DHCR7 Q9UBM7 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
NEK2 P51955 1/20 0.38
MAPT P10636 1/20 0.38
EPHX2 P34913 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3013060 0.91 NPSR1 (0.43) NPSR1GAAEBPDHCR7TSHR
SCHEMBL3004183 0.91 MEN1 (0.42) NPSR1GAAALDH1A1KMT2AKDM4E
SCHEMBL3016140 0.89 EBP (0.48) NPSR1GAAEBPDHCR7TSHR
SCHEMBL3015471 0.88 USP2 (0.44) GAATSHRALDH1A1KMT2AMEN1
SCHEMBL3001008 0.87 MAPT (0.49) NPSR1GAAEBPDHCR7TSHR
SCHEMBL3009786 0.87 PKM (0.45) ALDH1A1KMT2AMEN1MAPK1LMNA
SCHEMBL3012670 0.87 SMN1; SMN2 (0.40) GAAALDH1A1KMT2AMEN1MAPK1
SCHEMBL3016674 0.86 NPSR1 (0.43) NPSR1GAAEBPDHCR7TSHR
SCHEMBL2999629 0.86 NPSR1 (0.45) NPSR1GAAEBPDHCR7TSHR
SCHEMBL3020021 0.86 NPSR1 (0.47) NPSR1GAAEBPDHCR7TSHR

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 NPSR1 764/4885GAA 110/4885EBP 154/4885

“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.