SCHEMBL1661000

SCHEMBL1661000

N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 14/20 0.60
NPY1R P25929 9/20 0.60
NPY5R Q15761 8/20 0.60
NPY2R P49146 5/20 0.60
CTSL P07711 1/20 0.59
APC P25054 3/20 0.55
SIRT5 Q9NXA8 1/20 0.53

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
SCHEMBL1660343 0.96 CTSL (0.64) NPY4RNPY1RNPY5RNPY2RCTSL
SCHEMBL1661018 0.96 CTSL (0.64) NPY4RNPY1RNPY5RNPY2RCTSL
SCHEMBL1663303 0.94 APC (0.61) NPY4RNPY1RNPY5RNPY2RCTSL
SCHEMBL17495215 0.91 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RCTSL
SCHEMBL1661910 0.90 CTSL (0.65) CTSLAPC
SCHEMBL1661176 0.90 CTSL (0.65) CTSLAPC
SCHEMBL1661922 0.90 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2RCTSL
SCHEMBL5929274 0.89 CTSL (0.73) NPY4RNPY1RNPY5RNPY2RCTSL
SCHEMBL1661334 0.88 PTPN1 (0.60) NPY4RNPY1RNPY5RNPY2R
SCHEMBL14509093 0.88 CTSL (0.68) NPY4RNPY1RNPY5RNPY2RCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed
US-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2017-08-24 US disclosed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 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-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY MCL1, DDIT3, MAP2K7 NPY4R 4859/4885NPY1R 4857/4885NPY5R 4808/4885

“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.