SCHEMBL12070950

SCHEMBL12070950

CC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.53
TFPI P10646 1/20 0.45
NPY4R P50391 5/20 0.44
NPY5R Q15761 5/20 0.44
NPY1R P25929 4/20 0.44
NPY2R P49146 2/20 0.44
IL23R Q5VWK5 7/20 0.42
RXFP1 Q9HBX9 1/20 0.40
KEAP1 Q14145 1/20 0.40

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
SCHEMBL15088150 0.94 SIRT5 (0.48) SIRT5TFPINPY4RNPY5RNPY1R
SCHEMBL20806247 0.92 NPY4R (0.45) SIRT5TFPINPY4RNPY5RNPY1R
SCHEMBL13701341 0.90 SIRT5 (0.63) SIRT5NPY4RNPY5RNPY1RNPY2R
SCHEMBL12073161 0.90 SIRT5 (0.55) SIRT5NPY4RNPY5RNPY1RNPY2R
SCHEMBL31437196 0.89 TFPI (0.48) SIRT5TFPINPY4RNPY5RNPY1R
SCHEMBL20783808 0.88 NPY4R (0.45) SIRT5TFPINPY4RNPY5RNPY1R
SCHEMBL13166808 0.87 SIRT5 (0.59) SIRT5TFPINPY4RNPY5RNPY1R
SCHEMBL30463273 0.87 SIRT5 (0.59) SIRT5TFPINPY4RNPY5RNPY1R
SCHEMBL5606014 0.87 SIRT5 (0.48) SIRT5TFPINPY4RNPY5RNPY1R
SCHEMBL12680257 0.86 RXFP1 (0.47) SIRT5TFPIIL23RRXFP1

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-20130171085-A1 AMINO ACID DERIVATIVES; COMPOSITIONS CONTAINING THEM; USE AS AGENTS FOR TREATING HUMAN PERSPIRATION L'OREAL (FR) 2013-07-04 US disclosed
WO-2011157611-A2 AMINO ACID DERIVATIVES; COMPOSITIONS CONTAINING THEM; USE AS AGENTS FOR TREATING HUMAN PERSPIRATION L'OREAL (FR) 2011-12-22 WO 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-20130171085-A1 AMINO ACID DERIVATIVES; COMPOSITIONS CONTAINING THEM; USE AS AGENTS FOR TREATING HUMAN PERSPIRATION TYR, CUTA, AADAT SIRT5 4161/4885TFPI 2403/4885NPY4R 1670/4885

“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.