SCHEMBL4366748

SCHEMBL4366748

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ PSMB5 P28074 4/20 0.53
▸ ITGB1 P05556 12/20 0.51
▸ ITGA4 P13612 12/20 0.51
▸ ITGB7 P26010 12/20 0.51
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMO Q99835 1/20 0.45
▸ EGFR P00533 1/20 0.45

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
SCHEMBL4366677 0.94 ITGB1 (0.56) CYP3A4MAPK1PSMB5ITGB1ITGA4
SCHEMBL4362318 0.86 ITGB1 (0.62) PSMB5ITGB1ITGA4ITGB7
SCHEMBL27679186 0.86 ITGB1 (0.62) PSMB5ITGB1ITGA4ITGB7
SCHEMBL4372161 0.83 CTSL (0.61) CYP3A4MAPK1PSMB5NPC1RAB9A
SCHEMBL16993942 0.83 ITGB1 (0.67) ITGB1ITGA4ITGB7
SCHEMBL16993943 0.83 ITGB1 (0.67) ITGB1ITGA4ITGB7
SCHEMBL4364557 0.82 CTSL (0.58) CYP3A4MAPK1PSMB5NPC1RAB9A
SCHEMBL4369254 0.81 ALDH1A1 (0.58) PSMB5ITGB1ITGA4ITGB7RAB9A
SCHEMBL11581254 0.81 GFER (0.57) CYP3A4MAPK1ITGB1ITGA4ITGB7
SCHEMBL11581256 0.81 GFER (0.57) CYP3A4MAPK1ITGB1ITGA4ITGB7

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 CYP3A4 1134/4885MAPK1 2260/4885PSMB5 1591/4885

“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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