SCHEMBL24449986

SCHEMBL24449986

CC(C)NC(=O)OC(C#N)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
CTSK P43235 3/20 0.32
CTSS P25774 1/20 0.32
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30
TSHR P16473 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30

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
SCHEMBL24112456 0.79 CTSK (0.33) DPP4CTSKCTSSMAPK1SMN1; SMN2
SCHEMBL18672378 0.77 SMN1; SMN2 (0.33) DPP4SMN1; SMN2
SCHEMBL23835997 0.74 MCL1 (0.42) CTSKMMP1MMP2MMP9
SCHEMBL7186086 0.74 TSHR (0.46) DPP4SMN1; SMN2TSHR
SCHEMBL5527894 0.74 LMNA (0.39) DPP4TSHR
SCHEMBL4047835 0.74 LMNA (0.39) DPP4TSHR
SCHEMBL17032847 0.72 TSHR (0.36) CTSKMAPK1SMN1; SMN2CA12CA1
SCHEMBL1106982 0.71 TSHR (0.46) SMN1; SMN2CA12CA1CA2MMP1
SCHEMBL23836143 0.71 CASP3 (0.43) SMN1; SMN2
Ammonia Solution, Strong SCHEMBL1930552 0.69 TSHR (0.43) SMN1; SMN2CA12CA1CA2MMP1

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-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 US disclosed
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 US disclosed
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-05-26 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 DPP4 192/4885CTSK 49/4885CTSS 10/4885
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL DPP4 192/4885CTSK 49/4885CTSS 10/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL DPP4 121/4885CTSK 43/4885CTSS 7/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV DPP4 290/4885CTSK 46/4885CTSS 7/4885

“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.