SCHEMBL24740263

SCHEMBL24740263

CCC1(C)C(=O)Nc2cccc(Cl)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
CES1 P23141 1/20 0.41
PGR P06401 3/20 0.39
PDK2 Q15119 2/20 0.39
PDK4 Q16654 1/20 0.39
PDE7A Q13946 1/20 0.38
POLB P06746 1/20 0.38
CYP11B2 P19099 1/20 0.37
HTR7 P34969 2/20 0.36
TGM2 P21980 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
HTR5A P47898 1/20 0.36
MGAT1 P26572 1/20 0.35
MGAT2 Q10469 1/20 0.35
HTR6 P50406 2/20 0.35
HTT P42858 1/20 0.34
DRD1 P21728 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL25805364 1.00 AKR1B1 (0.42) AKR1B1CES1PGRPDK2PDK4
SCHEMBL12290765 0.83 AKR1B1 (0.38) AKR1B1CES1PGRPDK2PDK4
SCHEMBL24740170 0.82 AKR1B1 (0.42) AKR1B1PGRPDK2PDK4POLB
SCHEMBL24740180 0.81 HSD11B1 (0.38) PGRPDK2PDK4POLBHTT
SCHEMBL24112426 0.77 PDK2 (0.53) AKR1B1CES1PGRPDK2PDK4
SCHEMBL5500770 0.74 PDK2 (0.60) AKR1B1PDK2PDK4POLB
SCHEMBL24740182 0.74 PDK2 (0.60) AKR1B1PDK2PDK4POLB
SCHEMBL23836086 0.71 AKR1B1 (0.42) AKR1B1CES1PGRPDK2PDK4
SCHEMBL23835845 0.71 AKR1B1 (0.42) AKR1B1CES1PGRPDK2PDK4
SCHEMBL31332564 0.69 CES1 (0.46) AKR1B1CES1PDK2PDK4PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 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 (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-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL AKR1B1 3941/4885CES1 196/4885PGR 4195/4885

“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.