SCHEMBL25758756

SCHEMBL25758756

Cc1cccc(C(C)(C)COC(=O)NC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSH P09668 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
ADRA1A P35348 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 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
SCHEMBL24740258 0.85 MAPT (0.47) CTSLCTSBCTSHCTSSCTSK
SCHEMBL3627510 0.84 CTSK (0.56) CTSLCTSBCTSHCTSSCTSK
SCHEMBL18286244 0.73 FFAR1 (0.43) SMN1; SMN2LMNATSHRCYP3A4KIF11
SCHEMBL24112753 0.72 MAPT (0.44) NPSR1LMNATSHRALOX15RAB9A
SCHEMBL30428422 0.72 MAPT (0.42) CTSLCTSBCTSHCTSSCTSK
SCHEMBL28951838 0.72 MAPT (0.42) CTSLCTSBCTSHCTSSCTSK
SCHEMBL28951840 0.72 MAPT (0.42) CTSLCTSBCTSHCTSSCTSK
SCHEMBL28951508 0.72 NOS3 (0.46) CTSLCTSBCTSHCTSSCTSK
SCHEMBL30174718 0.72 NOS3 (0.46) CTSLCTSBCTSHCTSSCTSK
SCHEMBL25527526 0.72 NOS3 (0.46) CTSLCTSBCTSHCTSSCTSK

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 CTSL 2/4885CTSB 27/4885CTSH 100/4885

“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.