Sugi Predict

Sugi Predict / Compounds / SCHEMBL21702362

SCHEMBL21702362

SCHEMBL21702362

CC(C)(C)OC(=O)c1cnc(Cl)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ GABRA1 P14867 3/20 0.39
▸ GABRG2 P18507 3/20 0.39
▸ GABRB3 P28472 3/20 0.39
▸ GABRA5 P31644 3/20 0.39
▸ GABRA3 P34903 3/20 0.39
▸ GABRA2 P47869 3/20 0.39
▸ GABRA4 P48169 3/20 0.39
▸ GABRA6 Q16445 3/20 0.39
▸ MET P08581 1/20 0.38
▸ ATR Q13535 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRE P78334 1/20 0.35
▸ GABRG1 Q8N1C3 1/20 0.35

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
SCHEMBL30047650 1.00 TDP1 (0.42) TDP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL454098 0.84 ALDH1A1 (0.48) TDP1ALDH1A1L3MBTL1NTRK1NTRK2
SCHEMBL38655656 0.83 CA12 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5385127 0.83 CA12 (0.38) TDP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30821487 0.82 MAPK1 (0.46) TDP1ALDH1A1L3MBTL1CA12CA1
SCHEMBL990912 0.82 MAPK1 (0.46) TDP1ALDH1A1L3MBTL1CA12CA1
SCHEMBL21094068 0.81 TDP1 (0.39) TDP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL3705490 0.81 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23873699 0.79 STAT3 (0.36) TDP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL20482099 0.78 TDP1 (0.51) TDP1ALDH1A1L3MBTL1CA12CA1

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-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 — — US disclosed
CN-112513017-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-03-16 — — CN disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 — — 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-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 TDP1 1147/4885GABRA1 2327/4885GABRG2 2124/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP TDP1 1753/4885GABRA1 2468/4885GABRG2 1885/4885

“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.