Sugi Predict

Sugi Predict / Compounds / SCHEMBL24020799

SCHEMBL24020799

SCHEMBL24020799

CC(C)(C)OC(=O)n1ccc2ccc(F)c(Cl)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.47
▸ BUB1 O43683 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP3A5 P20815 2/20 0.34
▸ STS P08842 2/20 0.33
▸ APP P05067 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32

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
SCHEMBL30310356 1.00 ACLY (0.47) ACLYBUB1HSP90AA1HSP90AB1MEN1
SCHEMBL24112566 0.84 ACLY (0.48) ACLYBUB1HSP90AA1HSP90AB1MEN1
SCHEMBL30310460 0.84 ACLY (0.48) ACLYBUB1HSP90AA1HSP90AB1MEN1
SCHEMBL16339898 0.80 ACLY (0.54) ACLYBUB1HSP90AA1HSP90AB1BCHE
SCHEMBL24021144 0.78 ACLY (0.43) ACLYBUB1HSP90AA1HSP90AB1MEN1
SCHEMBL25339770 0.78 ACLY (0.43) ACLYBUB1HSP90AA1HSP90AB1MEN1
SCHEMBL30310705 0.78 ACLY (0.43) ACLYBUB1HSP90AA1HSP90AB1MEN1
SCHEMBL31358141 0.77 OXER1 (0.36) —
SCHEMBL2877952 0.77 ACLY (0.47) ACLYBUB1HSP90AA1HSP90AB1MEN1
SCHEMBL25338485 0.76 BUB1 (0.41) ACLYBUB1HSP90AA1HSP90AB1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 — — CN disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — US disclosed
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 — — US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 — — 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 (3 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-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL ACLY 1052/4885BUB1 1931/4885HSP90AA1 1856/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL ACLY 1052/4885BUB1 1931/4885HSP90AA1 1856/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV ACLY 846/4885BUB1 1941/4885HSP90AA1 1936/4885

“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.