SCHEMBL3011706

SCHEMBL3011706

Cc1cccc(-c2csc(N3CCC(S(=O)(=O)c4ccccc4C#N)CC3)n2)c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
CTSS P25774 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AR P10275 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SPR P35270 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3014996 0.94 SMN1; SMN2 (0.42) SMN1; SMN2CTSSNPC1RAB9AAR
SCHEMBL3010813 0.90 CTSS (0.42) SMN1; SMN2CTSSNPC1RAB9ADRD2
SCHEMBL3022490 0.86 AR (0.53) SMN1; SMN2CTSSNPC1RAB9AAR
SCHEMBL3010401 0.86 CTSS (0.46) SMN1; SMN2CTSSNPC1RAB9AAR
SCHEMBL3013469 0.86 SMN1; SMN2 (0.42) SMN1; SMN2CTSSNPC1RAB9AAR
SCHEMBL3017432 0.85 KMT2A (0.51) SMN1; SMN2CTSSNPC1RAB9AAR
SCHEMBL3019584 0.85 ALDH1A1 (0.50) SMN1; SMN2ARMEN1LMNAMAPK1
SCHEMBL3004409 0.84 DRD2 (0.41) SMN1; SMN2CTSSNPC1RAB9AAR
SCHEMBL3017477 0.84 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AARMEN1
SCHEMBL3011288 0.84 LMNA (0.52) SMN1; SMN2CTSSNPC1RAB9AAR

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 SMN1; SMN2 1/4885CTSS 106/4885NPC1 15/4885

“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.