SCHEMBL24019759

SCHEMBL24019759

CCC(C#N)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
CTSC P53634 6/20 0.47
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.40
CTSH P09668 1/20 0.40
CYP2D6 P10635 1/20 0.40
CTSK P43235 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13133357 0.82 SIGMAR1 (0.44) SIGMAR1CTSCCYP3A4KDM4EMAPT
SCHEMBL3713615 0.81 SIGMAR1 (0.47) SIGMAR1CYP3A4KDM4EMAPTMCL1
SCHEMBL9779725 0.81 SIGMAR1 (0.43) SIGMAR1CTSCCYP3A4KDM4EMAPT
SCHEMBL18775067 0.81 SIGMAR1 (0.43) SIGMAR1CTSCCYP3A4KDM4EMAPT
SCHEMBL18775058 0.80 SIGMAR1 (0.40) SIGMAR1CTSCCYP3A4KDM4EMAPT
Hydrochloric Acid SCHEMBL9676562 0.80 CYP3A4 (0.44) SIGMAR1CTSCCYP3A4KDM4EMAPT
SCHEMBL18775055 0.78 SIGMAR1 (0.38) SIGMAR1CTSCCYP3A4KDM4EMAPT
SCHEMBL2129593 0.77 CTSC (0.48) CTSCMAPTMCL1SMN1; SMN2
SCHEMBL24323636 0.77 SIGMAR1 (0.40) SIGMAR1CTSCCYP3A4KDM4EMAPT
SCHEMBL18762581 0.77 SIGMAR1 (0.44) SIGMAR1CTSCCYP3A4KDM4EMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 SIGMAR1 4511/4885CTSC 20/4885CYP3A4 614/4885
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL SIGMAR1 4560/4885CTSC 12/4885CYP3A4 944/4885
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL SIGMAR1 4560/4885CTSC 12/4885CYP3A4 944/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL SIGMAR1 4511/4885CTSC 20/4885CYP3A4 614/4885

“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.