SCHEMBL4363548

SCHEMBL4363548

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
RAB9A P51151 1/20 0.67
TSHR P16473 1/20 0.65
LNPEP Q9UIQ6 6/20 0.62
CTSL P07711 4/20 0.60
ALDH1A1 P00352 2/20 0.60
THRB P10828 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60
LMNA P02545 1/20 0.59
GLA P06280 1/20 0.59
ERAP2 Q6P179 4/20 0.58
ERAP1 Q9NZ08 3/20 0.58
MDM4 O15151 1/20 0.56
MDM2 Q00987 1/20 0.56
CTSS P25774 2/20 0.55
CTSK P43235 2/20 0.55
CTSB P07858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL13669588 0.96 TSHR (0.67) GAARAB9ATSHRLNPEPCTSL
SCHEMBL13669590 0.96 TSHR (0.67) GAARAB9ATSHRLNPEPCTSL
SCHEMBL4362716 0.96 TSHR (0.67) GAARAB9ATSHRLNPEPCTSL
SCHEMBL4366475 0.96 TSHR (0.67) GAARAB9ATSHRLNPEPCTSL
SCHEMBL11580063 0.96 TSHR (0.67) GAARAB9ATSHRLNPEPCTSL
SCHEMBL13885677 0.95 GAA (0.73) GAARAB9ATSHRLNPEPCTSL
SCHEMBL4364442 0.94 TSHR (0.62) GAARAB9ATSHRLNPEPCTSL
SCHEMBL4360846 0.94 TSHR (0.62) GAARAB9ATSHRLNPEPCTSL
SCHEMBL11581351 0.93 GAA (0.65) GAARAB9ATSHRLNPEPCTSL
SCHEMBL4373087 0.93 TSHR (0.61) GAARAB9ATSHRLNPEPCTSL

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 GAA 407/4885RAB9A 2865/4885TSHR 4473/4885

“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.