SCHEMBL25845373

SCHEMBL25845373

CCCC1(CC)CC(C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
NR1H2 P55055 1/20 0.31
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL5984320 0.84 HDAC8 (0.38) HSD17B10HDAC8SMN1; SMN2RORCSPHK1
SCHEMBL1781623 0.83 HSD17B10 (0.37) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL1781626 0.83 HSD17B10 (0.37) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL10138493 0.83 HSD17B10 (0.37) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL25930944 0.82 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2RORCSPHK1
SCHEMBL18591178 0.82 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2RORCSPHK1
SCHEMBL22123778 0.80 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2RORCSPHK1
SCHEMBL20584483 0.80 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2RORCSPHK1
SCHEMBL22123735 0.80 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2RORCSPHK1
SCHEMBL17181248 0.80 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2RORCSPHK1

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 1 patent. 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

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV HSD17B10 1162/4885HDAC8 2217/4885SMN1; SMN2 3613/4885

“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.