SCHEMBL4362292

SCHEMBL4362292

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.53
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
KLKB1 P03952 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
MAPK1 P28482 2/20 0.49

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
SCHEMBL4372161 0.88 CTSL (0.61) CTSLRAB9ACTSSCTSKMAPK1
SCHEMBL30074931 0.86 ITGB3 (0.52) CTSLGAARAB9AITGB3ITGA2B
SCHEMBL27933195 0.86 ITGB3 (0.52) CTSLGAARAB9AITGB3ITGA2B
SCHEMBL4364556 0.85 CTSL (0.63) CTSLCTSSCTSKMAPK1CYP3A4
Hydrochloric Acid SCHEMBL4370941 0.85 ITGB3 (0.51) CTSLGAARAB9AITGB3ITGA2B
Hydrochloric Acid SCHEMBL27679182 0.85 ITGB3 (0.51) CTSLGAARAB9AITGB3ITGA2B
SCHEMBL30205665 0.84 PTPN1 (0.59) GAARAB9AKLKB1HDAC3HDAC4
SCHEMBL29256019 0.84 PTPN1 (0.59) GAARAB9AKLKB1HDAC3HDAC4
SCHEMBL24368194 0.84 NPC1 (0.62) CTSLRAB9ACTSSCTSKMAPK1
SCHEMBL13669585 0.84 NPC1 (0.54) CTSLRAB9ACTSSCTSKMAPK1

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 591/4885GAA 407/4885RAB9A 2865/4885

“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.