SCHEMBL23925765

SCHEMBL23925765

CC(C)(C)OC(=O)N1C[C@@H](S(C)(=O)=O)C[C@@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
HSD11B1 P28845 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H2 P55055 4/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
NR1H3 Q13133 3/20 0.35
BTK Q06187 1/20 0.35
ATM Q13315 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
SCHEMBL696186 1.00 HSD17B10 (0.42) HSD17B10HSD11B1SMN1; SMN2NR1H2CTSL
SCHEMBL23925766 1.00 HSD17B10 (0.42) HSD17B10HSD11B1SMN1; SMN2NR1H2CTSL
SCHEMBL699391 0.86 NR1H2 (0.46) HSD17B10HSD11B1NR1H2CTSLCTSB
SCHEMBL2250201 0.86 HSD17B10 (0.43) HSD17B10HSD11B1SMN1; SMN2NR1H2CTSL
SCHEMBL19853293 0.81 HSD17B10 (0.49) HSD17B10HSD11B1SMN1; SMN2NR1H2CYP1A2
SCHEMBL19853319 0.81 HSD17B10 (0.49) HSD17B10HSD11B1SMN1; SMN2NR1H2CYP1A2
SCHEMBL700342 0.81 SMN1; SMN2 (0.43) HSD17B10HSD11B1SMN1; SMN2NR1H2CTSL
SCHEMBL695734 0.80 NR1H2 (0.44) HSD11B1NR1H2CTSLCTSBCTSS
SCHEMBL3382551 0.80 HSD17B10 (0.38) HSD17B10HSD11B1NR1H2CYP1A2POLB
SCHEMBL8990042 0.80 HSD17B10 (0.38) HSD17B10HSD11B1NR1H2CYP1A2POLB

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 1711/4885HSD11B1 3036/4885SMN1; SMN2 4032/4885

“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.