SCHEMBL9976599

SCHEMBL9976599

CC(C)C1CCN(Cc2cncs2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.40
TLR7 Q9NYK1 6/20 0.40
TLR9 Q9NR96 5/20 0.40
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ARG1 P05089 1/20 0.35
XIAP P98170 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
KDM1A O60341 1/20 0.33
PIK3CD O00329 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
LTA4H P09960 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL9976594 0.91 TLR8 (0.44) TLR8TLR7TLR9JAK2JAK1
SCHEMBL13154264 0.81 ALDH1A1 (0.50) TLR8TLR7TLR9JAK2JAK1
SCHEMBL9979813 0.81 ALDH1A1 (0.50) TLR8TLR7TLR9JAK2JAK1
SCHEMBL12767170 0.78 ALDH1A1 (0.43) TLR8TLR7TLR9JAK2JAK1
SCHEMBL9979865 0.77 ALDH1A1 (0.60) TLR8TLR7TLR9JAK2JAK1
SCHEMBL12727195 0.74 ALDH1A1 (0.42) TLR8TLR7TLR9JAK2JAK1
SCHEMBL9976598 0.72 PKM (0.51) ALDH1A1KDM4ELMNA
SCHEMBL13676575 0.71 ALOX15 (0.44) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL18933368 0.71 ALDH1A1 (0.40) TLR8TLR7TLR9JAK2JAK1
SCHEMBL18427275 0.71 LTA4H (0.46) TLR8TLR7TLR9JAK2JAK1

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-8202887-B2 2-(substituted-amino)-benzothiazole sulfonamide HIV protease inhibitors JANSSEN R&D IRELAND (IE) 2012-06-19 US disclosed
US-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-08-20 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-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS SPINT2, PEPD, DNPEP TLR8 2997/4885TLR7 2682/4885TLR9 3954/4885

“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.