SCHEMBL27434009

SCHEMBL27434009

CC(C)Cc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CN2C(=O)C=CC2=O)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.39
▸ FAP Q12884 3/20 0.38
▸ FURIN P09958 2/20 0.38
▸ NPY4R P50391 4/20 0.37
▸ NPY1R P25929 3/20 0.37
▸ NPY2R P49146 3/20 0.37
▸ NPY5R Q15761 3/20 0.37
▸ MAP1LC3B Q9GZQ8 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35

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
SCHEMBL27433847 0.93 FURIN (0.40) TRPV1FAPFURINNPY4RNPY1R
SCHEMBL27432925 0.93 NPY4R (0.42) TRPV1FAPNPY4RNPY1RNPY2R
SCHEMBL24028236 0.92 FAP (0.42) TRPV1FAPFURINNPY4RNPY1R
SCHEMBL22746548 0.92 FAP (0.42) TRPV1FAPFURINNPY4RNPY1R
SCHEMBL27421377 0.90 FAP (0.46) TRPV1FAPFURINNPY4RNPY1R
SCHEMBL27433100 0.90 FAP (0.46) TRPV1FAPFURINNPY4RNPY1R
SCHEMBL27421384 0.90 FAP (0.46) TRPV1FAPFURINNPY4RNPY1R
SCHEMBL27433756 0.90 FAP (0.46) TRPV1FAPFURINNPY4RNPY1R
SCHEMBL24500888 0.89 FAP (0.40) TRPV1FAPFURINNPY4RNPY1R
SCHEMBL23485300 0.89 MAP1LC3B (0.41) FAPFURINMAP1LC3BHTT

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 TRPV1 1207/4885FAP 1971/4885FURIN 4013/4885

“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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