SCHEMBL21028197

SCHEMBL21028197

N#CC1(NS(=O)(=O)c2ccc(CCSS)c3ccccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 4/20 0.40
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
CTSS P25774 5/20 0.32
CTSK P43235 5/20 0.32
CTSL P07711 4/20 0.31
CTSB P07858 2/20 0.31
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21028169 0.83 PARG (0.45) PARGRORCRORBCTSSCTSK
SCHEMBL21028170 0.77 ALOX5AP (0.36) GAAHTTNPSR1
SCHEMBL16852622 0.75 PARG (0.47) PARGRORCRORBCTSSCTSK
SCHEMBL16819769 0.75 PARG (0.47) PARGRORCRORBCTSSCTSK
SCHEMBL18077845 0.75 PARG (0.47) PARGRORCRORBCTSSCTSK
SCHEMBL16849171 0.72 PARG (0.47) PARGRORCRORBCTSSCTSK
SCHEMBL12506324 0.72 PARG (0.49) PARGRORCRORB
SCHEMBL28200512 0.66 PARG (0.64) PARGCTSSCTSKCTSLCTSB
SCHEMBL21028150 0.60 BRD4 (0.51) CTSSCTSKGAAHTTNPSR1
SCHEMBL16261164 0.59 PARG (0.42) PARGCTSS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 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-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC PARG 4878/4885RORC 3/4885RORB 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.