SCHEMBL20617833

SCHEMBL20617833

CC(=O)OC1CC(F)(F)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM2 P08172 5/20 0.36
CHRM1 P11229 3/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
APLNR P35414 1/20 0.32
MEN1 O00255 2/20 0.31
CYP2D6 P10635 1/20 0.31
GAA P10253 2/20 0.31
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL5984440 0.83 CYP3A4 (0.35) TSHRKMT2AALDH1A1CHRM2CHRM1
SCHEMBL25380199 0.80 APLNR (0.35) APLNR
SCHEMBL20798246 0.80 CYP3A4 (0.35) TSHRKMT2ACHRM2CHRM1CHRM4
SCHEMBL28677870 0.78 KMT2A (0.44) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL25380201 0.78 APLNR (0.33) APLNRGAA
SCHEMBL20617831 0.77 EPHX2 (0.39) KMT2AALDH1A1CHRM2CHRM1CHRM4
SCHEMBL24943634 0.77 PIK3CD (0.31) APLNR
SCHEMBL28011826 0.76 TSHR (0.42) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL20618012 0.76 CHRM3 (0.32) CHRM3
SCHEMBL28605901 0.76 NAAA (0.34) ALDH1A1CHRM2CHRM1CHRM4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099424-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2025-03-27 US disclosed
CN-114681443-B Nitrile-containing antiviral compounds 辉瑞大药厂 2024-05-10 CN disclosed
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
CN-116789648-A Nitrile-containing antiviral compounds 辉瑞大药厂 2023-09-22 CN disclosed
CN-114466838-B Nitrile-containing antiviral compounds 辉瑞大药厂 2023-05-02 CN disclosed
CN-114681443-A Nitrile-containing antiviral compounds 辉瑞大药厂 2022-07-01 CN disclosed
CN-114466838-A Nitrile-containing antiviral compounds 辉瑞大药厂 2022-05-10 CN disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 EP disclosed
WO-2019046944-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING Propellon Therapeutics Inc. (CA) 2019-03-14 WO disclosed
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 WO 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-20250099424-A1 Nitrile-Containing Antiviral Compounds ACE2, NOS2, EIF2AK2 TSHR 3589/4885KMT2A 2683/4885ALDH1A1 3238/4885

“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.