SCHEMBL22438554

SCHEMBL22438554

C[C@H]1CC(=O)C(C#N)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
CTSK P43235 3/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SETD7 Q8WTS6 2/20 0.35
HSD11B1 P28845 1/20 0.34
TSHR P16473 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL22438551 1.00 AR (0.38) ARCTSKMEN1ALDH1A1MAPT
SCHEMBL22438553 1.00 AR (0.38) ARCTSKMEN1ALDH1A1MAPT
SCHEMBL19958775 0.80 TSHR (0.44) ARSETD7HSD11B1TSHRGPR119
SCHEMBL6441114 0.80 TSHR (0.44) ARSETD7HSD11B1TSHRGPR119
SCHEMBL6441117 0.80 TSHR (0.44) ARSETD7HSD11B1TSHRGPR119
SCHEMBL30900974 0.80 TSHR (0.44) ARSETD7HSD11B1TSHRGPR119
SCHEMBL6441115 0.80 TSHR (0.44) ARSETD7HSD11B1TSHRGPR119
SCHEMBL12489546 0.78 SETD7 (0.39) ARSETD7HSD11B1TSHRGPR119
SCHEMBL625040 0.78 MAPT (0.43) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL34469108 0.77 SETD7 (0.36) ARSETD7HSD11B1TSHRGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210079015-A1 NOVEL DIHYDROISOXAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B NOVARTIS AG (CH) 2021-03-18 US disclosed
US-20210079015-A1 NOVEL DIHYDROISOXAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B NOVARTIS AG (CH) 2021-03-18 US disclosed
EP-3710455-A1 NOVEL DIHYDROISOXAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B Novartis AG (CH) 2020-09-23 EP disclosed
CN-111315749-A Novel dihydroisoxazole compounds and their use in the treatment of hepatitis b 诺华股份有限公司 2020-06-19 CN 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-20210079015-A1 NOVEL DIHYDROISOXAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B XDH, SLC10A1, RORB AR 3283/4885CTSK 2933/4885MEN1 2698/4885

“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.