SCHEMBL25758881

SCHEMBL25758881

Cc1ccc(C(=O)NC(C)C)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
MLYCD O95822 1/20 0.40
ALPL P05186 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NLRP3 Q96P20 1/20 0.39
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 2/20 0.37
HMBS P08397 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL24740420 0.79 ALOX15 (0.53) ALOX15ADORA3ADORA2AADORA2BADORA1
SCHEMBL17624955 0.78 ALOX15 (0.42) ALOX15SMN1; SMN2KMT2AHMBSCCNC
SCHEMBL25768607 0.75 MLYCD (0.46) ALOX15ADORA3ADORA2AADORA2BADORA1
SCHEMBL9354140 0.74 MMP1 (0.60) ALOX15ADORA3ADORA2AADORA2BADORA1
SCHEMBL3551459 0.74 GAA (0.58) ALPLKDM4EKMT2ACYP1A2HMBS
SCHEMBL18900582 0.74 HMBS (0.42) ADORA2AADORA1KDM4EMEN1KMT2A
SCHEMBL22888391 0.73 MMP1 (0.59) KDM4EHMBSALDH1A1LMNAMAPT
SCHEMBL9337759 0.72 HMBS (0.50) SMN1; SMN2KDM4EMEN1KMT2AHMBS
SCHEMBL24019835 0.72 ALOX15 (0.49) ALOX15ADORA3ADORA2AADORA2BADORA1
SCHEMBL21363085 0.71 HMBS (0.43) SMN1; SMN2KDM4EMEN1KMT2ACYP1A2

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 ALOX15 1455/4885ADORA3 3931/4885ADORA2A 4145/4885

“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.