SCHEMBL4732094

SCHEMBL4732094

N=C(N)NCCC[C@H](NC(=O)CN)C(=O)NCC(C(=O)O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
C3AR1 Q16581 1/20 0.40
F10 P00742 1/20 0.39
NPY4R P50391 7/20 0.38
NPY5R Q15761 6/20 0.38
NPY1R P25929 5/20 0.38
NPY2R P49146 3/20 0.38
ITGB3 P05106 5/20 0.37
ITGA2B P08514 4/20 0.37
ITGAV P06756 3/20 0.37
SLC15A2 Q16348 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4283125 0.95 EPHX2 (0.38) EPHX2C3AR1F10NPY4RNPY5R
SCHEMBL5965846 0.95 QRFPR (0.40) EPHX2C3AR1F10NPY4RNPY5R
SCHEMBL243189 0.77 PTAFR (0.41) EPHX2ITGB3ITGA2BITGAV
Benzene SCHEMBL6278673 0.75 C3AR1 (0.49) EPHX2C3AR1NPY4RNPY5RNPY1R
SCHEMBL243198 0.74 EPHX2 (0.37) EPHX2ITGB3ITGA2BITGAVCYP2C9
SCHEMBL25601934 0.73 F10 (0.44) F10NPY4RNPY5RNPY1R
SCHEMBL29875780 0.73 SLC15A2 (0.44) C3AR1NPY4RNPY5RNPY1RNPY2R
SCHEMBL3952951 0.73 SLC15A2 (0.44) C3AR1NPY4RNPY5RNPY1RNPY2R
SCHEMBL29875467 0.73 SLC15A2 (0.44) C3AR1NPY4RNPY5RNPY1RNPY2R
SCHEMBL3952924 0.73 SLC15A2 (0.44) C3AR1NPY4RNPY5RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503749-A4 METHIONINE AMINOPEPTIDASE-2 INHIBITORS AND METHODS OF USE THEREOF PRAECIS PHARM INC (US) 2008-04-09 EP disclosed
US-6919307-B2 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
US-20050130903-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis GLAXOSMITHKLINE LLC 2005-06-16 US disclosed
US-20050059585-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof PRAECIS PHARMACEUTICALS INC. (US) 2005-03-17 US disclosed
EP-1503749-A2 METHIONINE AMINOPEPTIDASE-2 INHIBITORS AND METHODS OF USE THEREOF Praecis Pharmaceuticals Inc. (US) 2005-02-09 EP disclosed
WO-2003092608-A2 METHIONINE AMINOPEPTIDASE-2 INHIBITORS AND METHODS OF USE THEREOF PRAECIS PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed
EP-1330447-A2 PEPTIDES AS MET-AP2 INHIBITORS Praecis Pharmaceuticals Incorporated (US) 2003-07-30 EP disclosed
US-20030109671-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS INC. 2003-06-12 US disclosed
US-20020151493-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS INC. 2002-10-17 US disclosed
WO-2002042295-A2 PEPTIDES AS MET-AP2 INHIBITORS PRAECIS PHARMACEUTICALS INC. (US) 2002-05-30 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 (4 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-20030109671-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis METAP2, METAP1, ADM2 EPHX2 898/4885C3AR1 419/4885F10 1250/4885
US-20050130903-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis METAP2, METAP1, ADM2 EPHX2 898/4885C3AR1 419/4885F10 1250/4885
US-20050059585-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof METAP2, METAP1, LNPEP EPHX2 632/4885C3AR1 1371/4885F10 2394/4885
US-20020151493-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis METAP2, METAP1, ADM2 EPHX2 898/4885C3AR1 419/4885F10 1250/4885

“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.