SCHEMBL10036458

SCHEMBL10036458

CC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 19/20 0.66
NPY5R Q15761 10/20 0.66
NPY1R P25929 10/20 0.66
NPY2R P49146 7/20 0.66

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
SCHEMBL2632463 0.94 NPY4R (0.64) NPY4RNPY5RNPY1RNPY2R
SCHEMBL2632460 0.91 NPY4R (0.71) NPY4RNPY5RNPY1RNPY2R
SCHEMBL17722904 0.83 NMT1 (0.45) NPY4RNPY5RNPY1RNPY2R
SCHEMBL28474284 0.82 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2R
SCHEMBL16273801 0.82 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2R
SCHEMBL13880094 0.81 NPY4R (0.63) NPY4RNPY5RNPY1RNPY2R
SCHEMBL18797119 0.81 NPY4R (0.49) NPY4RNPY5RNPY1RNPY2R
SCHEMBL23230088 0.80 NPY4R (0.66) NPY4RNPY5RNPY1RNPY2R
SCHEMBL27433212 0.79 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2R
SCHEMBL2632503 0.78 OPRL1 (0.56) NPY4RNPY5RNPY1RNPY2R

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-8642555-B2 Prodrugs KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2014-02-04 US disclosed
US-20120094892-A1 PRODRUGS KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2012-04-19 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-20120094892-A1 PRODRUGS ACP3, KLK3, FOLH1 NPY4R 4470/4885NPY5R 3918/4885NPY1R 4185/4885

“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.