SCHEMBL16181267

SCHEMBL16181267

CC(C)C(NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CN)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 5/20 0.52
▸ ITGB3 P05106 3/20 0.45
▸ ITGA2B P08514 3/20 0.45
▸ NPY4R P50391 9/20 0.44
▸ NPY1R P25929 8/20 0.44
▸ NPY5R Q15761 8/20 0.44
▸ NPY2R P49146 5/20 0.44
▸ NMT2 O60551 1/20 0.41
▸ NMT1 P30419 1/20 0.41

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
SCHEMBL16181278 0.96 FURIN (0.54) FURINITGB3ITGA2BNPY4RNPY1R
SCHEMBL16181272 0.94 FURIN (0.51) FURINNPY4RNPY1RNPY5RNPY2R
SCHEMBL16181237 0.93 FURIN (0.52) FURINITGB3ITGA2BNPY4RNPY1R
SCHEMBL7920067 0.93 FURIN (0.52) FURINITGB3ITGA2BNPY4RNPY1R
SCHEMBL16181609 0.93 FURIN (0.52) FURINITGB3ITGA2BNPY4RNPY1R
SCHEMBL16181263 0.91 FURIN (0.49) FURINITGB3ITGA2BNPY1R
SCHEMBL16181249 0.91 FURIN (0.49) FURINITGB3ITGA2BNPY1R
SCHEMBL16181279 0.90 FURIN (0.48) FURINNPY4RNPY1RNPY5RNPY2R
SCHEMBL16181252 0.89 F7 (0.49) FURINITGB3ITGA2BNPY4RNPY1R
SCHEMBL16181291 0.88 NPY4R (0.51) FURINNPY4RNPY1RNPY5RNPY2R

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-8865865-B2 N-terminally modified tetrapeptide derivatives having a C-terminal arginine mimetic PHILIPPS-UNIVERSITAT MARBURG (DE) 2014-10-21 — — US disclosed
US-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC PHILIPPS-UNIVERSITAT MARBURG (DE) 2011-12-22 — — 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-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC FURIN, IAPP, APP FURIN 1/4885ITGB3 3753/4885ITGA2B 4098/4885

“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.

Send feedback