SCHEMBL30388232

SCHEMBL30388232

CC(C)(C)OC(=O)NN1CCCC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
BTK Q06187 1/20 0.43
ACE P12821 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
CYP2C19 P33261 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NPC1 O15118 1/20 0.39
CTSK P43235 2/20 0.38
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
KLK5 Q9Y337 1/20 0.36
EPHX1 P07099 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1907844 1.00 HSD17B10 (0.44) HSD17B10BTKACESMN1; SMN2LMNA
SCHEMBL1903239 0.86 KLK5 (0.42) HSD17B10BTKSMN1; SMN2CA1CA2
SCHEMBL29689842 0.79 CTSK (0.41) HSD17B10BTKCA1CA2CTSK
SCHEMBL3604405 0.79 HSD17B10 (0.41) HSD17B10BTKACESMN1; SMN2LMNA
SCHEMBL5056535 0.79 HSD17B10 (0.41) HSD17B10BTKACESMN1; SMN2LMNA
SCHEMBL3413490 0.77 CA1 (0.39) BTKCA1CA2CTSKGAA
SCHEMBL9128673 0.77 CA1 (0.39) BTKCA1CA2CTSKGAA
SCHEMBL22887890 0.77 CA1 (0.39) BTKCA1CA2CTSKGAA
SCHEMBL3411407 0.77 CA1 (0.39) BTKCA1CA2CTSKGAA
SCHEMBL3411401 0.77 CA1 (0.39) BTKCA1CA2CTSKGAA

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-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 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-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC HSD17B10 2943/4885BTK 2043/4885ACE 170/4885

“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.