SCHEMBL21111699

SCHEMBL21111699

CC(C)(C)OC(=O)N1CC=C2C(C)(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@]2(C)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.34
NR1H2 P55055 1/20 0.32
HTR6 P50406 1/20 0.32
STS P08842 2/20 0.31
PDK4 Q16654 1/20 0.31

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
SCHEMBL21111698 1.00 RORC (0.34) RORCNR1H2HTR6STSPDK4
SCHEMBL21111722 0.88
SCHEMBL21111724 0.88
SCHEMBL2256948 0.81 NR1H2 (0.40) RORCNR1H2HTR6STSPDK4
SCHEMBL23538445 0.79 RORC (0.37) RORCNR1H2HTR6STSPDK4
SCHEMBL21158214 0.79 NR1H2 (0.37) RORCNR1H2PDK4
SCHEMBL16422844 0.78 STS (0.35) RORCNR1H2HTR6STSPDK4
SCHEMBL19168628 0.78 RORC (0.38) RORCNR1H2HTR6STSPDK4
SCHEMBL5809590 0.76 RORC (0.37) RORCNR1H2HTR6STSPDK4
SCHEMBL19176058 0.75 RORC (0.35) RORCNR1H2HTR6STSPDK4

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
EP-3478662-B1 AZADECALIN DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO5) LTD (GB) 2020-09-16 EP disclosed
US-20190209550-A1 AZADECALIN DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2019-07-11 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-20190209550-A1 AZADECALIN DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION SAMHD1, AZI2, CDKN1A RORC 1375/4885NR1H2 4005/4885HTR6 3738/4885

“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.