SCHEMBL27432928

SCHEMBL27432928

CC(C)Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.36
▸ OPRK1 P41145 2/20 0.35
▸ TRPV1 Q8NER1 4/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ GLP1R P43220 1/20 0.33

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
SCHEMBL24898123 0.93 NR3C1 (0.38) NR3C1OPRK1CA12CA1CA2
SCHEMBL23846023 0.93 NR3C1 (0.38) NR3C1OPRK1CA12CA1CA2
SCHEMBL23961616 0.93 NR3C1 (0.38) NR3C1OPRK1CA12CA1CA2
SCHEMBL18019443 0.91 NR3C1 (0.37) NR3C1CA12CA1CA2CA4
SCHEMBL19211630 0.90 NR3C1 (0.37) NR3C1OPRK1CA12CA1CA2
SCHEMBL16945805 0.90 NR3C1 (0.38) NR3C1CA12CA1CA2CA4
SCHEMBL24781307 0.90 NR3C1 (0.35) NR3C1OPRK1CA12CA1CA2
SCHEMBL22910463 0.90 NR3C1 (0.35) NR3C1OPRK1CA12CA1CA2
SCHEMBL18929353 0.90 NR3C1 (0.35) NR3C1OPRK1CA12CA1CA2
SCHEMBL22336359 0.89 GAA (0.41) NR3C1TRPV1CA12CA1CA2

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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 — — 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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R NR3C1 1/4885OPRK1 405/4885TRPV1 1207/4885

“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.

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