SCHEMBL24740446

SCHEMBL24740446

CC(C)C(=O)OCC(C)(C)Cc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
MAOB P27338 3/20 0.42
RIPK1 Q13546 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
MAOA P21397 2/20 0.40
KIF11 P52732 1/20 0.40
MAPK1 P28482 1/20 0.40
PKM P14618 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL24112710 0.86 MAOB (0.45) MAOBRIPK1ALDH1A1HPGDHCAR2
SCHEMBL25759190 0.85 PNMT (0.42) PNMTRIPK1ALDH1A1HPGDMAPT
SCHEMBL24019747 0.84 CTSL (0.47) PNMTRIPK1ALDH1A1HPGDMAPT
SCHEMBL24019666 0.83 RIPK1 (0.45) MAOBRIPK1ALDH1A1MAPTHCAR2
SCHEMBL24112749 0.82 MAPT (0.43) MAOBRIPK1ALDH1A1HPGDMAPT
SCHEMBL28838240 0.82 CTSL (0.47) ALDH1A1MAPTTSHRRECQLCHRNB2
SCHEMBL7975207 0.79 ALDH1A1 (0.60) PNMTMAOBALDH1A1HPGDHCAR2
SCHEMBL24019663 0.77 GRIN2D (0.54) ALDH1A1HPGDMAPTKIF11PKM
SCHEMBL19220801 0.74 CYP3A4 (0.71) PNMTMAOBRIPK1ALDH1A1HPGD
SCHEMBL22877743 0.74 PNMT (0.47) PNMTRIPK1TSHRRECQL

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 2 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-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 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 (2 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-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL PNMT 3481/4885MAOB 2548/4885RIPK1 1042/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV PNMT 4164/4885MAOB 1780/4885RIPK1 2050/4885

“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.