SCHEMBL3016948

SCHEMBL3016948

O=S(=O)(c1ccc(F)cc1F)C1CCN(c2nc(Cc3cccc(Br)c3)cs2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.37
LMNA P02545 2/20 0.37
NAAA Q02083 4/20 0.36
GPR6 P46095 1/20 0.35
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
KCNH2 Q12809 4/20 0.35
DRD2 P14416 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RORC P51449 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
SCHEMBL3012276 0.91 CTSS (0.47) CTSSLMNANAAASMN1; SMN2NPC1
SCHEMBL3010780 0.91 NAAA (0.41) CTSSLMNANAAAGPR6HTR2A
SCHEMBL3010968 0.90 GPR6 (0.38) CTSSLMNANAAAGPR6HTR2A
SCHEMBL3005451 0.90 NAAA (0.35) CTSSLMNANAAASMN1; SMN2KMT2A
SCHEMBL3001195 0.88 LMNA (0.39) CTSSLMNANAAAGPR6HTR2A
SCHEMBL3017160 0.88 HTR2A (0.39) LMNAGPR6HTR2AHTR2CKCNH2
SCHEMBL3018947 0.88 MAPT (0.44) CTSSLMNAGPR6SMN1; SMN2ALDH1A1
SCHEMBL3013266 0.88 LMNA (0.40) CTSSLMNANAAAGPR6HTR2A
SCHEMBL3007631 0.87 GPR6 (0.40) CTSSGPR6HTR2AHTR2CKCNH2
SCHEMBL3010387 0.87 AR (0.39) SMN1; SMN2NPC1RAB9AKMT2AMEN1

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 106/4885LMNA 80/4885NAAA 3229/4885

“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.