SCHEMBL19245752

SCHEMBL19245752

CC(=O)OCc1nc(C2CC(C)C2)no1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PDE8B O95263 1/20 0.31
NOTUM Q6P988 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
TRPA1 O75762 1/20 0.30
CYP3A4 P08684 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
SCHEMBL17374147 0.87 HSD11B1 (0.34) HSD11B1SIRT2PDE8B
SCHEMBL17374411 0.77 HSD11B1 (0.35) HSD11B1
SCHEMBL19728281 0.77 NOTUM (0.35) HSD11B1HCRTR1HCRTR2NOTUMTRPA1
SCHEMBL24258945 0.74 SIRT2 (0.39) HSD11B1SIRT2HCRTR1HCRTR2AKR1C4
SCHEMBL24922866 0.73 SIRT2 (0.47) SIRT2NOTUMCYP3A4
SCHEMBL17500082 0.72 MAPT (0.39)
SCHEMBL8897496 0.72 HSD17B10 (0.51) SIRT2NOTUMCYP3A4
SCHEMBL17374159 0.71 USP30 (0.46)
SCHEMBL10263561 0.69 HSD17B10 (0.36) SIRT2NOTUMCYP3A4
SCHEMBL24922901 0.68 NOTUM (0.44) SIRT2NOTUMCYP3A4

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-10174014-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2019-01-08 US disclosed
US-20170233379-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2017-08-17 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 (2 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-10174014-B2 Compounds, compositions, and methods for increasing CFTR activity CFTR, ABCB4, SCNN1B HSD11B1 3907/4885SIRT2 2600/4885HCRTR1 4365/4885
US-20170233379-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCB4, SCNN1B HSD11B1 3907/4885SIRT2 2600/4885HCRTR1 4365/4885

“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.