SCHEMBL23835756

SCHEMBL23835756

CC(C)C(=O)c1cc2cccc(Cl)c2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.56
DAO P14920 1/20 0.50
MAP3K5 Q99683 1/20 0.46
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
PYGL P06737 1/20 0.43
PYGM P11217 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
NSD2 O96028 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FLT3 P36888 1/20 0.39
APEX1 P27695 1/20 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
SCHEMBL25139601 0.83 NSD2 (0.57) HRH4DAONSD2ALDH1A1HPGD
SCHEMBL27337665 0.82 HRH4 (0.59) HRH4DAOMAP3K5CDK1CCNB1
SCHEMBL24019959 0.81 ALOX15 (0.57) HRH4DAOMAP3K5CDK1CCNB1
SCHEMBL30305564 0.80 HRH4 (0.57) HRH4DAOMAP3K5CDK1CCNB1
SCHEMBL1144741 0.80 HPGD (0.60) HRH4DAOCDK1CCNB1CA12
SCHEMBL17321408 0.79 FLT3 (0.57) HRH4DRD2DRD3MEN1ALDH1A1
SCHEMBL30310556 0.79 HRH4 (0.56) HRH4DAOMAP3K5CDK1CCNB1
SCHEMBL29063451 0.79 HRH4 (0.56) HRH4DAOMAP3K5CDK1CCNB1
SCHEMBL24740173 0.78 HRH4 (0.56) HRH4DAOMAP3K5CDK1CCNB1
SCHEMBL24896461 0.78 HRH4 (0.56) HRH4DAOMAP3K5CDK1CCNB1

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 7 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-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-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-04-26 US disclosed
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2021-11-18 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 (6 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-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof CTSV, CTRL, CTSL HRH4 4243/4885DAO 797/4885MAP3K5 2224/4885
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL HRH4 4013/4885DAO 788/4885MAP3K5 2592/4885
US-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL HRH4 3076/4885DAO 1109/4885MAP3K5 2820/4885
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL HRH4 4013/4885DAO 788/4885MAP3K5 2592/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL HRH4 4243/4885DAO 797/4885MAP3K5 2224/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV HRH4 4259/4885DAO 894/4885MAP3K5 2237/4885

“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.