SCHEMBL23835849

SCHEMBL23835849

CC(C)C1(C)C(=O)Nc2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.44
PKM P14618 1/20 0.42
CMA1 P23946 1/20 0.41
AHR P35869 1/20 0.41
PDE7A Q13946 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNQ4 P56696 1/20 0.40
KCNMA1 Q12791 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
MDM2 Q00987 8/20 0.40
PGR P06401 2/20 0.40
IDO1 P14902 1/20 0.40
HTR6 P50406 1/20 0.40
TP53 P04637 6/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
CES1 P23141 1/20 0.39
GHSR Q92847 1/20 0.37

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
SCHEMBL23836087 1.00 AKR1B1 (0.44) AKR1B1PKMCMA1AHRPDE7A
SCHEMBL24019678 0.87 IDO1 (0.50) AKR1B1PDE7APGRIDO1HTR6
SCHEMBL24019606 0.87 IDO1 (0.50) AKR1B1PDE7APGRIDO1HTR6
SCHEMBL23835847 0.81 AKR1B1 (0.43) AKR1B1ADAMTS5
SCHEMBL24029215 0.81 AKR1B1 (0.43) AKR1B1ADAMTS5
SCHEMBL23835757 0.80 KMT2A (0.40) AKR1B1PGRHTR6
SCHEMBL30847461 0.80 MEN1 (0.50) AKR1B1PKMCMA1AHRHTR6
SCHEMBL25758600 0.80 AKR1B1 (0.35) AKR1B1PKMCMA1AHRPDE7A
SCHEMBL24019924 0.80 KMT2A (0.40) AKR1B1PGRHTR6
SCHEMBL25758517 0.80 AKR1B1 (0.35) AKR1B1PKMCMA1AHRPDE7A

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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 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 (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-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL AKR1B1 2704/4885PKM 2843/4885CMA1 45/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL AKR1B1 3400/4885PKM 2706/4885CMA1 46/4885

“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.