SCHEMBL24029211

SCHEMBL24029211

Cc1cccc2c1NC(=O)[C@]2(C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
HTT P42858 1/20 0.49
GPR35 Q9HC97 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
PDE7A Q13946 1/20 0.42
PDK2 Q15119 4/20 0.40
DAO P14920 1/20 0.40
PDK4 Q16654 3/20 0.39
PDK1 Q15118 1/20 0.39
PDK3 Q15120 1/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CREBBP Q92793 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL23835843 1.00 CNR1 (0.49) CNR1HTTGPR35GPR55PDE7A
SCHEMBL23835844 0.81 PDE7A (0.41) CNR1HTTGPR35GPR55PDE7A
SCHEMBL24450333 0.81 AKR1B1 (0.44) CNR1HTTGPR35GPR55PDE7A
SCHEMBL23836091 0.81 PDE7A (0.41) CNR1HTTGPR35GPR55PDE7A
SCHEMBL23835760 0.81 AKR1B1 (0.44) CNR1HTTGPR35GPR55PDE7A
SCHEMBL2264510 0.78 PDK2 (0.62) CNR1HTTGPR35GPR55PDE7A
SCHEMBL24029212 0.74 AKR1B1 (0.42) PDK2DAOPDK4CREBBPPOLB
SCHEMBL24450280 0.74 AKR1B1 (0.42) PDK2DAOPDK4CREBBPPOLB
SCHEMBL24029074 0.73 PDK2 (0.60) PDK2PDK4POLBALDH1A1HSD17B10
SCHEMBL10311219 0.73 PDK2 (0.60) PDK2PDK4POLBALDH1A1HSD17B10

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
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-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-05-26 US disclosed
US-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-04-26 US disclosed
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2021-11-18 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-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof CTSV, CTRL, CTSL CNR1 2818/4885HTT 2625/4885GPR35 4510/4885
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL CNR1 2818/4885HTT 2625/4885GPR35 4510/4885
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL CNR1 2619/4885HTT 1484/4885GPR35 4620/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV CNR1 2614/4885HTT 2737/4885GPR35 4408/4885

“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.