SCHEMBL22035533

SCHEMBL22035533

Cc1c(C(C)C)c(=O)n(C)c2ccc(C3CC3)cc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.40
TLR8 Q9NR97 17/20 0.40
TLR9 Q9NR96 15/20 0.38
CASR P41180 1/20 0.36
LIPE Q05469 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
SCHEMBL21979018 0.81 TLR9 (0.38) TLR7TLR9CASR
SCHEMBL30901324 0.81 TLR9 (0.38) TLR7TLR9CASR
SCHEMBL22016488 0.77 ATM (0.41)
SCHEMBL22016181 0.77 MAPK8 (0.40)
SCHEMBL22017354 0.74 PGR (0.44) TLR9
SCHEMBL22017085 0.73 KDM4E (0.46) TLR9
SCHEMBL22031406 0.73 NQO2 (0.54)
SCHEMBL23606075 0.69 QDPR (0.50) TLR7TLR8TLR9
SCHEMBL22016182 0.69 ATM (0.48)
SCHEMBL22035473 0.69 NTRK1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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 (3 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 TLR7 596/4885TLR8 1892/4885TLR9 1482/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 TLR7 327/4885TLR8 1724/4885TLR9 1291/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 TLR7 596/4885TLR8 1892/4885TLR9 1482/4885

“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.