SCHEMBL23835844

SCHEMBL23835844

CC(C)C1(C)C(=O)Nc2c(Cl)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.41
PDE7B Q9NP56 1/20 0.41
PDK2 Q15119 4/20 0.39
CES1 P23141 2/20 0.39
NSD2 O96028 1/20 0.39
BCHE P06276 1/20 0.39
DAO P14920 1/20 0.39
PDK4 Q16654 3/20 0.38
PDK1 Q15118 1/20 0.38
PDK3 Q15120 1/20 0.38
AHR P35869 1/20 0.38
HSD11B1 P28845 2/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL23836091 1.00 PDE7A (0.41) PDE7APDE7BPDK2CES1NSD2
SCHEMBL24029211 0.81 CNR1 (0.49) PDE7APDK2DAOPDK4PDK1
SCHEMBL23835843 0.81 CNR1 (0.49) PDE7APDK2DAOPDK4PDK1
SCHEMBL24450333 0.80 AKR1B1 (0.44) PDE7APDK2PDK4PDK1PDK3
SCHEMBL23835760 0.80 AKR1B1 (0.44) PDE7APDK2PDK4PDK1PDK3
SCHEMBL2269040 0.79 PDK2 (0.61) PDE7APDE7BPDK2CES1NSD2
SCHEMBL23836086 0.76 AKR1B1 (0.42) PDE7APDK2CES1NSD2BCHE
SCHEMBL23835845 0.76 AKR1B1 (0.42) PDE7APDK2CES1NSD2BCHE
SCHEMBL11729336 0.76 PDE7A (0.43) PDE7APDE7BPDK2CES1NSD2
SCHEMBL24029074 0.72 PDK2 (0.60) PDK2PDK4ALDH1A1POLBHSD17B10

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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-05-26 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-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL PDE7A 3365/4885PDE7B 2762/4885PDK2 1714/4885
US-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL PDE7A 3766/4885PDE7B 3417/4885PDK2 1923/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL PDE7A 3365/4885PDE7B 2762/4885PDK2 1714/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV PDE7A 3305/4885PDE7B 2724/4885PDK2 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.