SCHEMBL1661066

SCHEMBL1661066

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.44
ACE P12821 5/20 0.43
NAALAD2 Q9Y3Q0 2/20 0.43
NMUR2 Q9GZQ4 1/20 0.42
NMUR1 Q9HB89 1/20 0.42
TACR3 P29371 5/20 0.42
CCKAR P32238 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
SCHEMBL1663151 0.90 CTSL (0.44) AVPR1ANAALAD2NMUR2NMUR1TACR3
SCHEMBL1662080 0.90 BACE1 (0.49) AVPR1ANAALAD2NMUR2NMUR1TACR3
SCHEMBL1661229 0.89 ACE (0.51) AVPR1AACENAALAD2
SCHEMBL12793435 0.86 NPY4R (0.49) TACR3
SCHEMBL1662059 0.84 CTSL (0.54)
SCHEMBL19252727 0.83 FOLH1 (0.47) NAALAD2
SCHEMBL1661011 0.83 ACE (0.48) AVPR1AACENMUR2NMUR1TACR3
SCHEMBL1663148 0.79 APC (0.51) AVPR1AACENAALAD2
SCHEMBL13731613 0.79 NAALAD2 (0.40) AVPR1AACENAALAD2NMUR2NMUR1
SCHEMBL1660926 0.78 CTSL (0.56)

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 AVPR1A 4789/4885ACE 2709/4885NAALAD2 2726/4885

“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.