SCHEMBL27433847

SCHEMBL27433847

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 4/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ NPY4R P50391 4/20 0.39
▸ NPY5R Q15761 4/20 0.39
▸ NPY1R P25929 3/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ FAP Q12884 1/20 0.38
▸ BACE1 P56817 6/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ TFPI P10646 1/20 0.37
▸ CTSD P07339 1/20 0.37
▸ BACE2 Q9Y5Z0 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL27434009 0.93 TRPV1 (0.39) FURINITGB1ITGA4NPY4RNPY5R
SCHEMBL27433843 0.91 FAP (0.45) FURINITGB1ITGA4NPY4RNPY5R
SCHEMBL18251538 0.91 SIRT5 (0.41) FURINFAPSIRT5
SCHEMBL19709121 0.91 SIRT5 (0.41) FURINFAPSIRT5
SCHEMBL17815429 0.89 FURIN (0.41) FURINFAPSIRT5
SCHEMBL27434236 0.89 FAP (0.41) FURINITGB1ITGA4NPY4RNPY5R
SCHEMBL27434235 0.89 FAP (0.41) FURINITGB1ITGA4NPY4RNPY5R
SCHEMBL27434329 0.89 FAP (0.41) FURINITGB1ITGA4NPY4RNPY5R
SCHEMBL19708459 0.89 SIRT5 (0.40) FURINFAPSIRT5
SCHEMBL22597718 0.88 SIRT5 (0.42) FURINFAPSIRT5

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 FURIN 4013/4885ITGB1 1652/4885ITGA4 1539/4885

“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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