SCHEMBL4366623

SCHEMBL4366623

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.63
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ CA2 P00918 1/20 0.54
▸ BACE1 P56817 2/20 0.54
▸ CTSL P07711 4/20 0.50
▸ CTSS P25774 2/20 0.50
▸ CTSK P43235 2/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ PSMB5 P28074 2/20 0.48
▸ CTSB P07858 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ RPS6KA5 O75582 1/20 0.48
▸ RPS6KA4 O75676 1/20 0.48
▸ PRKACA P17612 1/20 0.48
▸ GSK3A P49840 1/20 0.48

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
SCHEMBL4365720 1.00 LMNA (0.63) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL4372161 0.88 CTSL (0.61) NPC1RAB9ACTSLCTSSCTSK
SCHEMBL4361766 0.88 ALDH1A1 (0.52) LMNARAB9ASMN1; SMN2CTSLMAPK1
SCHEMBL4366751 0.87 CA2 (0.67) NPC1RAB9ASMN1; SMN2TP53CA2
SCHEMBL27659000 0.87 CA2 (0.67) NPC1RAB9ASMN1; SMN2TP53CA2
SCHEMBL7381190 0.87 NPC1 (0.70) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL7786734 0.87 NPC1 (0.70) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL6800540 0.85 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TP53CA2
SCHEMBL6800534 0.85 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TP53CA2
SCHEMBL4364556 0.85 CTSL (0.63) CA2CTSLCTSSCTSKMAPK1

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 LMNA 1167/4885NPC1 1535/4885RAB9A 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.

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