SCHEMBL25808797

SCHEMBL25808797

CC(C)[C@]1(C)c2ccccc2NC1O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
GFER P55789 1/20 0.33
HTR5A P47898 2/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
SUV39H1 O43463 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
MAPK1 P28482 1/20 0.31
BRPF1 P55201 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL23835721 0.77 PGR (0.32) PDK2HTR5A
SCHEMBL23836083 0.77 IDO1 (0.38) PDK2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL23835727 0.73 AKR1B1 (0.31) PDK2
SCHEMBL20012755 0.67 CYP2D6 (0.43) KMT2AALDH1A1SUV39H1EHMT2
SCHEMBL26265301 0.67 PDK2 (0.37) PDK2PDK4KMT2AMEN1GAA
SCHEMBL24519732 0.66 PGR (0.36) PDK2PDK4KMT2AMEN1GAA
SCHEMBL14770886 0.65 PDK2 (0.47) PDK2PDK4KMT2AMEN1GAA
SCHEMBL24445621 0.63 CHRM2 (0.46) KMT2AMEN1GAAMAPTALOX15
SCHEMBL12629401 0.63 PDK2 (0.41) PDK2PDK4KMT2AMEN1GAA
SCHEMBL1316216 0.63 PDK2 (0.41) PDK2PDK4KMT2AMEN1GAA

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV PDK2 1707/4885PDK4 2983/4885KMT2A 3383/4885

“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.