SCHEMBL17359203

SCHEMBL17359203

CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 17/20 0.68
NPY1R P25929 11/20 0.68
NPY5R Q15761 10/20 0.68
NPY2R P49146 7/20 0.68
KISS1R Q969F8 1/20 0.60
GNPAT O15228 1/20 0.54

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
SCHEMBL12794641 1.00 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL17356289 1.00 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL13563457 1.00 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL18951648 1.00 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL19278452 0.97 NPY4R (0.67) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL12792696 0.96 NPY4R (0.73) NPY4RNPY1RNPY5RNPY2R
SCHEMBL13563464 0.96 NPY4R (0.73) NPY4RNPY1RNPY5RNPY2R
Trifluoroacetic Acid SCHEMBL22126685 0.95 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL16507923 0.95 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL13563435 0.95 KISS1R (0.62) NPY4RNPY1RNPY5RNPY2RKISS1R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190224251-A1 METHODS OF DIFFERENTIATING STEM CELLS INTO ENDODERM MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2019-07-25 US disclosed
US-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2017-08-24 US disclosed
US-9518083-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2016-12-13 US disclosed
US-20150368294-A1 GADD45BETA TARGETING AGENTS IP2IPO INNOVATIONS LIMITED (GB) 2015-12-24 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 (3 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-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY MCL1, DDIT3, MAP2K7 NPY4R 4859/4885NPY1R 4857/4885NPY5R 4808/4885
US-20150368294-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 NPY4R 2105/4885NPY1R 3277/4885NPY5R 2756/4885
US-20190224251-A1 METHODS OF DIFFERENTIATING STEM CELLS INTO ENDODERM ALPG, ALPP, ALPI NPY4R 4309/4885NPY1R 4055/4885NPY5R 3871/4885

“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.