SCHEMBL24029079

SCHEMBL24029079

CC(C)[C@H]1C(=O)Nc2c(F)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
HSD11B1 P28845 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
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
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
AKR1B1 P15121 1/20 0.33
GAA P10253 1/20 0.32
DDB1 Q16531 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
SCHEMBL24019654 1.00 MAOB (0.41) MAOBHSD11B1MEN1KMT2ACA12
SCHEMBL24019657 0.81 TP53 (0.40) MAOBMEN1KMT2ACA12CA1
SCHEMBL24029075 0.81 TP53 (0.40) MAOBMEN1KMT2ACA12CA1
SCHEMBL25758495 0.80 PTPN7 (0.31)
SCHEMBL25761393 0.80 PTPN7 (0.31)
SCHEMBL24019653 0.80 CACNB4 (0.40) MAOBCA12CA1CA2CA4
SCHEMBL24029077 0.80 CACNB4 (0.40) MAOBCA12CA1CA2CA4
SCHEMBL24112851 0.77 MEN1 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL24112722 0.77 MEN1 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL25565597 0.77 ALDH1A1 (0.46) MEN1KMT2ACA12CA1CA2

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 MAOB 1859/4885HSD11B1 1955/4885MEN1 4363/4885
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL MAOB 1859/4885HSD11B1 1955/4885MEN1 4363/4885
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL MAOB 2548/4885HSD11B1 3036/4885MEN1 4164/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV MAOB 1780/4885HSD11B1 2299/4885MEN1 4306/4885

“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.