SCHEMBL23835845

SCHEMBL23835845

CC(C)C1(C)C(=O)Nc2cccc(Cl)c21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
CES1 P23141 2/20 0.41
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
HSD11B1 P28845 2/20 0.38
PDE7A Q13946 1/20 0.38
TGM2 P21980 4/20 0.36
PGR P06401 1/20 0.36
HTR6 P50406 3/20 0.35
CYP11B2 P19099 1/20 0.34
RECQL P46063 1/20 0.34
MAPK1 P28482 1/20 0.34
DRD1 P21728 1/20 0.34
NSD2 O96028 1/20 0.33
BCHE P06276 1/20 0.33
DAO P14920 1/20 0.33
PBRM1 Q86U86 1/20 0.33
AHR P35869 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
SCHEMBL23836086 1.00 AKR1B1 (0.42) AKR1B1CES1PDK2PDK4HSD11B1
SCHEMBL24450280 0.82 AKR1B1 (0.42) AKR1B1PDK2PDK4PGRMAPK1
SCHEMBL24029212 0.82 AKR1B1 (0.42) AKR1B1PDK2PDK4PGRMAPK1
SCHEMBL24019605 0.81 PDK2 (0.38) PDK2PDK4HSD11B1PGRMAPK1
SCHEMBL24029078 0.81 PDK2 (0.38) PDK2PDK4HSD11B1PGRMAPK1
SCHEMBL23835765 0.81 PDK2 (0.38) PDK2PDK4HSD11B1PGRMAPK1
SCHEMBL25758603 0.79 CES1 (0.33) AKR1B1CES1HSD11B1PDE7AHTR6
SCHEMBL25758518 0.79 CES1 (0.33) AKR1B1CES1HSD11B1PDE7AHTR6
SCHEMBL24450281 0.78 ALDH1A1 (0.33) PDE7APGRHTR6
SCHEMBL24112426 0.77 PDK2 (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 US disclosed
US-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-09-21 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 (4 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-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL AKR1B1 3400/4885CES1 198/4885PDK2 1714/4885
US-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL AKR1B1 2704/4885CES1 178/4885PDK2 1923/4885
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL AKR1B1 3941/4885CES1 196/4885PDK2 2426/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV AKR1B1 3391/4885CES1 187/4885PDK2 1707/4885

“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.