SCHEMBL23925570

SCHEMBL23925570

C[C@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
NR1H2 P55055 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.35
BTK Q06187 1/20 0.35
PREP P48147 1/20 0.35

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
SCHEMBL17986813 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL18669621 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL1948729 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL29984534 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL15116885 0.89 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL30591306 0.89 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL18094053 0.89 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL18611180 0.89 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL30505549 0.88 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL25286674 0.88 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380347-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-01 US disclosed
WO-2021212039-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-10-21 WO 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-20220380347-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL HSD17B10 1711/4885SMN1; SMN2 4032/4885NR1H2 4588/4885

“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.