SCHEMBL21702391

SCHEMBL21702391

CC(C)(C)OC(=O)c1ccc(F)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
GABRA1 P14867 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA5 P31644 4/20 0.39
GABRA3 P34903 4/20 0.39
GABRA2 P47869 4/20 0.39
GABRA4 P48169 3/20 0.39
GABRA6 Q16445 3/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TRPA1 O75762 1/20 0.36
APP P05067 1/20 0.36
ATR Q13535 1/20 0.36
HPGDS O60760 1/20 0.36
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

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
SCHEMBL28905707 0.83 CYP2D6 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19583834 0.82 CNR1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2593348 0.81 PTPN1 (0.50) PTPN1LMNAKMT2ASMN1; SMN2
SCHEMBL16101277 0.78 PTPN1 (0.39) PTPN1SMN1; SMN2KEAP1NFE2L2
SCHEMBL29987546 0.75 KEAP1 (0.40) PTPN1KMT2ASMN1; SMN2KEAP1NFE2L2
SCHEMBL15834206 0.74 CNR1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3540349 0.74 KEAP1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16992870 0.74 ATR (0.45) TRPA1ATRSCN9A
SCHEMBL29498377 0.73 CYP1A2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12474883 0.73 TRPA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3

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-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
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 PTPN1 1346/4885GABRA1 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 PTPN1 1922/4885GABRA1 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.