SCHEMBL4364556

SCHEMBL4364556

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.63
GRIA1 P42261 1/20 0.55
CTSS P25774 3/20 0.55
CTSK P43235 3/20 0.55
MAPK1 P28482 2/20 0.54
CYP3A4 P08684 1/20 0.54
ROCK2 O75116 1/20 0.53
RPS6KA5 O75582 1/20 0.53
RPS6KA4 O75676 1/20 0.53
PRKACA P17612 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
IRAK1 P51617 1/20 0.53
PRKX P51817 1/20 0.53
ROCK1 Q13464 1/20 0.53
PRKG1 Q13976 1/20 0.53
PKN2 Q16513 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
SGK2 Q9HBY8 1/20 0.53
PSMB5 P28074 2/20 0.53

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
SCHEMBL4367288 0.96 CTSL (0.58) CTSLGRIA1CTSSCTSKMAPK1
SCHEMBL4372161 0.94 CTSL (0.61) CTSLCTSSCTSKMAPK1CYP3A4
SCHEMBL4365199 0.92 NPC1 (0.60) CTSLGRIA1CTSSCTSKMAPK1
SCHEMBL4357884 0.92 CTSL (0.55) CTSLGRIA1CTSSCTSKMAPK1
SCHEMBL4360662 0.92 CTSL (0.57) CTSLGRIA1CTSSCTSKMAPK1
SCHEMBL24368194 0.89 NPC1 (0.62) CTSLCTSSCTSKMAPK1CYP3A4
SCHEMBL13669585 0.89 NPC1 (0.54) CTSLCTSSCTSKMAPK1CYP3A4
SCHEMBL24368211 0.89 NPC1 (0.62) CTSLCTSSCTSKMAPK1CYP3A4
SCHEMBL4365220 0.88 CTSL (0.53) CTSLGRIA1CTSSCTSKMAPK1
SCHEMBL4361619 0.88 CTSL (0.56) CTSLCTSSCTSKMAPK1CYP3A4

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
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

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 591/4885GRIA1 3570/4885CTSS 3153/4885

“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.