SCHEMBL23835997

SCHEMBL23835997

CCCNC(=O)OC(C#N)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
ACHE P22303 8/20 0.35
BCHE P06276 1/20 0.35
EPHX1 P07099 1/20 0.34
MGLL Q99685 2/20 0.34
CTSK P43235 1/20 0.34
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 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
SCHEMBL23941243 0.82 MCL1 (0.44) MCL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24019659 0.77 MCL1 (0.43) MCL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL104010 0.75 ALOX15 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL24449986 0.74 DPP4 (0.34) CTSKMMP1MMP2MMP9
SCHEMBL11752273 0.74 CHRNB2 (0.47) MCL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19508896 0.73 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL18671109 0.73 ALDH1A1 (0.41) ALOX15MEN1KMT2A
SCHEMBL28600675 0.72 MCL1 (0.48) MCL1MEN1KMT2AL3MBTL1
SCHEMBL11419405 0.72 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL18672378 0.71 SMN1; SMN2 (0.33)

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 8 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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 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
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 (7 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 MCL1 809/4885CHRNB2 4856/4885CHRNB4 4884/4885
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL MCL1 809/4885CHRNB2 4856/4885CHRNB4 4884/4885
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL MCL1 809/4885CHRNB2 4856/4885CHRNB4 4884/4885
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL MCL1 520/4885CHRNB2 4868/4885CHRNB4 4883/4885
US-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL MCL1 627/4885CHRNB2 4861/4885CHRNB4 4884/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL MCL1 809/4885CHRNB2 4856/4885CHRNB4 4884/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV MCL1 598/4885CHRNB2 4841/4885CHRNB4 4883/4885

“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.