SCHEMBL22601425

SCHEMBL22601425

CCCC(C)(C)[C@H](C)COC(=O)[C@@H](N)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
ADRA1A P35348 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC7A5 Q01650 1/20 0.32
PSMB5 P28074 1/20 0.32

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
SCHEMBL22601424 0.82 SLC7A5 (0.39) TSHRSLC7A5PSMB5
SCHEMBL20747635 0.78 LMNA (0.37) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL25989500 0.76 LMNA (0.42) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL22601580 0.75 CYP4F2 (0.34) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL24943430 0.72 LMNA (0.35) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL1515227 0.72 TSHR (0.50) TSHRRAB9ATDP1SLC7A5PSMB5
SCHEMBL15148055 0.72 TSHR (0.50) TSHRRAB9ATDP1SLC7A5PSMB5
SCHEMBL10363386 0.72 TSHR (0.50) TSHRRAB9ATDP1SLC7A5PSMB5
SCHEMBL26143811 0.72 SLC7A5 (0.44) TSHRSLC7A5PSMB5
SCHEMBL1204246 0.72 TSHR (0.37) TSHRADRA1ATDP1SLC7A5PSMB5

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 LMNA 3233/4885HSD17B10 2536/4885TSHR 4486/4885

“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.