SCHEMBL19252747

SCHEMBL19252747

CN[C@@H](CCCNC(=N)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.45
NPY4R P50391 6/20 0.40
MME P08473 2/20 0.40
ACE P12821 2/20 0.40
NPY1R P25929 4/20 0.40
ECE1 P42892 1/20 0.40
NPY2R P49146 3/20 0.40
NPY5R Q15761 3/20 0.40
FOLH1 Q04609 1/20 0.40
CTSL P07711 1/20 0.39

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
SCHEMBL1661328 0.88 NPY4R (0.37) NPY4RNPY1RNPY2RNPY5RCTSL
SCHEMBL1661064 0.86 NPY4R (0.48) NPY4RACENPY1RNPY2RNPY5R
SCHEMBL19252729 0.82 CTSL (0.47) FOLH1CTSL
SCHEMBL1661928 0.81 CTSL (0.47) NPY4RNPY1RNPY2RNPY5RCTSL
SCHEMBL1662044 0.78 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5R
SCHEMBL1661320 0.77 GRIA1 (0.43) NPY4RNPY1RNPY2RNPY5RCTSL
SCHEMBL17495217 0.74 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5R
SCHEMBL1663148 0.73 APC (0.51) ACEFOLH1CTSL
SCHEMBL12793611 0.73 NPY4R (0.60) NPY4RNPY1RNPY2RNPY5R
SCHEMBL11129760 0.72 NPY4R (0.60) NPY4RNPY1RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2017-08-24 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 (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 PTGER4 4182/4885NPY4R 4859/4885MME 2980/4885

“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.