SCHEMBL13669589

SCHEMBL13669589

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.67
MME P08473 1/20 0.64
PTPN1 P18031 2/20 0.64
CA2 P00918 3/20 0.62
CA1 P00915 2/20 0.62
ACE P12821 5/20 0.61
CTSS P25774 1/20 0.59
CTSK P43235 1/20 0.59
GRIA1 P42261 1/20 0.58
GPR132 Q9UNW8 1/20 0.57
PSMB5 P28074 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
SCHEMBL4360734 1.00 CTSL (0.67) CTSLMMEPTPN1CA2CA1
SCHEMBL28760302 1.00 CTSL (0.67) CTSLMMEPTPN1CA2CA1
SCHEMBL11582248 1.00 CTSL (0.67) CTSLMMEPTPN1CA2CA1
SCHEMBL4369236 1.00 CTSL (0.67) CTSLMMEPTPN1CA2CA1
SCHEMBL11583747 0.99 CTSL (0.66) CTSLMMEPTPN1CA2CA1
SCHEMBL4359080 0.99 CTSL (0.66) CTSLMMEPTPN1CA2CA1
SCHEMBL11583740 0.99 CTSL (0.66) CTSLMMEPTPN1CA2CA1
SCHEMBL4364597 0.95 PTPN1 (0.64) CTSLMMEPTPN1CA2CA1
SCHEMBL4357736 0.93 ACE (0.68) CTSLMMEPTPN1CA2CA1
SCHEMBL4356229 0.93 ACE (0.68) CTSLMMEPTPN1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CTSL 591/4885MME 8/4885PTPN1 1817/4885

“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.