SCHEMBL23835832

SCHEMBL23835832

CC(C)C(=O)C(=O)NCc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
RAB9A P51151 2/20 0.59
MAPT P10636 3/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
CTSK P43235 1/20 0.52
GAA P10253 3/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.49
NAMPT P43490 1/20 0.48

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
SCHEMBL29783179 0.83 RAB9A (0.73) HTTRAB9AMAPTLMNAL3MBTL1
SCHEMBL10311691 0.82 LMNA (0.69) HTTRAB9AMAPTLMNAMAPK1
SCHEMBL17754234 0.82 ALDH1A1 (0.67) MAPTL3MBTL1ALDH1A1SMN1; SMN2GAA
SCHEMBL19500124 0.82 RAB9A (0.55) HTTRAB9AMAPTLMNAMAPK1
SCHEMBL13101028 0.81 PKM (0.61) HTTMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL10163741 0.80 HTT (0.70) HTTRAB9AMAPTLMNAMAPK1
SCHEMBL361384 0.78 SMN1; SMN2 (0.63) HTTRAB9AMAPTLMNAL3MBTL1
SCHEMBL12282644 0.78 LMNA (0.55) HTTRAB9AMAPTLMNAMAPK1
SCHEMBL21845943 0.78 ALDH1A1 (0.55) HTTRAB9AMAPTLMNAMAPK1
SCHEMBL14943763 0.77 LMNA (0.58) HTTRAB9AMAPTLMNAMAPK1

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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 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 (5 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 HTT 1909/4885RAB9A 1547/4885MAPT 2521/4885
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL HTT 1484/4885RAB9A 1986/4885MAPT 1905/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL HTT 2625/4885RAB9A 2263/4885MAPT 2276/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL HTT 1484/4885RAB9A 1986/4885MAPT 1905/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV HTT 2737/4885RAB9A 2344/4885MAPT 2314/4885

“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.