SCHEMBL13669573

SCHEMBL13669573

COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
RAB9A P51151 1/20 0.69
ALDH1A1 P00352 3/20 0.68
LMNA P02545 1/20 0.68
GLA P06280 1/20 0.68
THRB P10828 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
HSD17B10 Q99714 1/20 0.65
CTSL P07711 5/20 0.64
CTSS P25774 2/20 0.64
CTSK P43235 2/20 0.64
PSMB5 P28074 2/20 0.60
ATM Q13315 1/20 0.59
GPR139 Q6DWJ6 1/20 0.58
TACR1 P25103 1/20 0.57
TSHR P16473 1/20 0.57
CTSB P07858 1/20 0.57
POLB P06746 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
SCHEMBL4369272 1.00 GAA (0.69) GAARAB9AALDH1A1LMNAGLA
SCHEMBL2461492 0.94 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL1793176 0.94 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL31206887 0.94 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL13669590 0.94 TSHR (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL4366475 0.94 TSHR (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL4362716 0.94 TSHR (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL11580063 0.94 TSHR (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL13669588 0.94 TSHR (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL4360736 0.93 GAA (0.67) GAARAB9AALDH1A1LMNAGLA

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 GAA 407/4885RAB9A 2865/4885ALDH1A1 2802/4885

“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.