Sugi Predict

Sugi Predict / Compounds / SCHEMBL9976594

SCHEMBL9976594

SCHEMBL9976594

CC(C)C1CCN(Cc2cncs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 6/20 0.44
▸ TLR7 Q9NYK1 6/20 0.44
▸ TLR9 Q9NR96 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ XIAP P98170 1/20 0.35
▸ ARG1 P05089 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL9976599 0.91 TLR8 (0.40) TLR8TLR7TLR9ALDH1A1JAK2
SCHEMBL12767170 0.83 ALDH1A1 (0.43) TLR8TLR7TLR9ALDH1A1JAK2
SCHEMBL9979865 0.83 ALDH1A1 (0.60) TLR8TLR7TLR9ALDH1A1JAK2
SCHEMBL12727195 0.79 ALDH1A1 (0.42) TLR8TLR7TLR9ALDH1A1JAK2
SCHEMBL9979813 0.77 ALDH1A1 (0.50) TLR8TLR7TLR9ALDH1A1JAK2
SCHEMBL13154264 0.77 ALDH1A1 (0.50) TLR8TLR7TLR9ALDH1A1JAK2
SCHEMBL4437203 0.77 LTA4H (0.49) TLR8TLR7TLR9ALDH1A1JAK2
SCHEMBL18427275 0.77 LTA4H (0.46) TLR8TLR7TLR9ALDH1A1JAK2
SCHEMBL18933368 0.77 ALDH1A1 (0.40) TLR8TLR7TLR9ALDH1A1JAK2
SCHEMBL14367254 0.76 KDM4E (0.47) TLR8TLR7TLR9ALDH1A1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 — — US disclosed
US-8202887-B2 2-(substituted-amino)-benzothiazole sulfonamide HIV protease inhibitors JANSSEN R&D IRELAND (IE) 2012-06-19 — — US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 — — US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 — — 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 (2 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
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 TLR8 2407/4885TLR7 801/4885TLR9 2536/4885

“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.