SCHEMBL24019652

SCHEMBL24019652

CC(C)C1C(=O)Nc2cc(Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.46
PGR P06401 2/20 0.42
CHRM1 P11229 2/20 0.42
MAOB P27338 1/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNG7 P62955 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNG1 Q06432 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1S Q13698 1/20 0.41

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
SCHEMBL23835725 1.00 MAPT (0.47) MAPTTP53PGRCHRM1MAOB
SCHEMBL23835717 0.87 MAPT (0.56) MAPTTP53PGRCHRM1MAOB
SCHEMBL24020000 0.87 MAPT (0.56) MAPTTP53PGRCHRM1MAOB
SCHEMBL18854108 0.81 MAPT (0.46) MAPTTP53MAOBGAA
SCHEMBL24019918 0.81 MAPT (0.46) MAPTTP53MAOBGAA
SCHEMBL20371515 0.80 MAOB (0.53) MAPTTP53PGRMAOB
SCHEMBL25758574 0.80 CHRM1 (0.35) MAPTTP53PGRCHRM1CACNB4
SCHEMBL25758616 0.80 CHRM1 (0.35) MAPTTP53PGRCHRM1CACNB4
SCHEMBL23836093 0.80 MAOB (0.53) MAPTTP53PGRMAOB
SCHEMBL18853924 0.78 TP53 (0.51) MAPTTP53MAOB

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 6 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-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 US disclosed
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 US disclosed
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-05-26 US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 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-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL MAPT 2276/4885TP53 527/4885PGR 3775/4885
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL MAPT 2276/4885TP53 527/4885PGR 3775/4885
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL MAPT 1905/4885TP53 237/4885PGR 4195/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL MAPT 1905/4885TP53 237/4885PGR 4195/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV MAPT 2314/4885TP53 524/4885PGR 3910/4885

“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.