SCHEMBL9979813

SCHEMBL9979813

CC1CCN(Cc2cncs2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
LMNA P02545 3/20 0.42
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
TLR8 Q9NR97 4/20 0.38
TLR7 Q9NYK1 4/20 0.38
TLR9 Q9NR96 3/20 0.38
ARG1 P05089 1/20 0.37
GAA P10253 1/20 0.37
ACHE P22303 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CDC7 O00311 2/20 0.34
ROCK1 Q13464 2/20 0.34
DBF4 Q9UBU7 2/20 0.34
KDM1A O60341 1/20 0.34
LTA4H P09960 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL13154264 1.00 ALDH1A1 (0.50) ALDH1A1LMNAJAK2JAK1TYK2
SCHEMBL9979865 0.90 ALDH1A1 (0.60) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL9976599 0.81 TLR8 (0.40) ALDH1A1LMNAJAK2JAK1TYK2
SCHEMBL12767170 0.78 ALDH1A1 (0.43) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL12727195 0.77 ALDH1A1 (0.42) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL9976594 0.77 TLR8 (0.44) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL18933368 0.75 ALDH1A1 (0.40) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL4437203 0.74 LTA4H (0.49) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL18427275 0.74 LTA4H (0.46) ALDH1A1LMNAJAK2JAK1TYK2
SCHEMBL14367254 0.73 KDM4E (0.47) ALDH1A1LMNAJAK2JAK1TYK2

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 ALDH1A1 2244/4885LMNA 2730/4885JAK2 1637/4885

“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.