SCHEMBL4359888

SCHEMBL4359888

CCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
RAB9A P51151 1/20 0.69
KLKB1 P03952 12/20 0.67
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
ACACB O00763 1/20 0.60
KLK1 P06870 2/20 0.58
GPR132 Q9UNW8 2/20 0.57
MME P08473 1/20 0.57
ACE P12821 1/20 0.57
CPA1 P15085 1/20 0.57
ACE2 Q9BYF1 1/20 0.57
PTPN1 P18031 1/20 0.56

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
SCHEMBL22604586 1.00 GAA (0.69) GAARAB9AKLKB1ITGB3ITGA2B
SCHEMBL27679113 1.00 GAA (0.69) GAARAB9AKLKB1ITGB3ITGA2B
SCHEMBL22604666 0.94 GAA (0.73) GAARAB9AKLKB1ITGB3ITGA2B
SCHEMBL22604588 0.91 GAA (0.85) GAARAB9AKLKB1ACACBKLK1
SCHEMBL13669587 0.91 GAA (0.85) GAARAB9AKLKB1ACACBKLK1
SCHEMBL22604660 0.91 KLKB1 (0.68) GAARAB9AKLKB1ACACBKLK1
SCHEMBL22604589 0.91 GAA (0.85) GAARAB9AKLKB1ACACBKLK1
SCHEMBL4369225 0.90 ITGB3 (0.68) GAARAB9AKLKB1ITGB3ITGA2B
SCHEMBL22604611 0.89 ITGB3 (0.66) GAARAB9AKLKB1ITGB3ITGA2B
SCHEMBL4373170 0.87 PTPN1 (0.65) GAARAB9AKLKB1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 US claimed
US-9023809-B2 Phenylalanine dipeptide derivatives, compositions and use thereof THE KEY LABORATORY OF CHEMISTRY FOR NATURAL PRODUCTS OF GUIZHOU PROVINCE AND CHINESE ACADEMY OF SCIENCES (CN) 2015-05-05 US disclosed
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 US disclosed
CN-100480234-C N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and preparing method and use thereof KEY LAB OF CHEMISTRY FOR NATUR (CN) 2009-04-22 CN disclosed
CN-1935779-A N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and its preparing method and use NATURAL PRODUCT CHEMISTRY KEY (CN) 2007-03-28 CN 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-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF DNPEP, PEPD, VIP GAA 407/4885RAB9A 2865/4885KLKB1 1426/4885

“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.