SCHEMBL4368609

SCHEMBL4368609

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 3/20 0.58
MAPT P10636 1/20 0.58
GAA P10253 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
BACE1 P56817 1/20 0.55
SSTR3 P32745 1/20 0.54
CA2 P00918 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CTSL P07711 2/20 0.52
USP21 Q9UK80 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52

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
SCHEMBL4362723 0.99 ALDH1A1 (0.59) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL4359066 0.95 ALDH1A1 (0.58) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL4356215 0.94 RAB9A (0.58) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL28604598 0.92 RAB9A (0.70) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL4366751 0.89 CA2 (0.67) RAB9ANPC1TP53SMN1; SMN2BACE1
SCHEMBL27659000 0.89 CA2 (0.67) RAB9ANPC1TP53SMN1; SMN2BACE1
SCHEMBL4359032 0.89 SSTR3 (0.57) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL11907045 0.89 CA2 (0.62) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL4369272 0.89 GAA (0.69) RAB9AALDH1A1GAALMNAGLA
SCHEMBL13669573 0.89 GAA (0.69) RAB9AALDH1A1GAALMNAGLA

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 RAB9A 2865/4885NPC1 1535/4885TP53 932/4885

“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.