SCHEMBL4366677

SCHEMBL4366677

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 12/20 0.56
▸ ITGA4 P13612 12/20 0.56
▸ ITGB7 P26010 11/20 0.56
▸ PSMB5 P28074 4/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ GFER P55789 1/20 0.48
▸ CTSL P07711 1/20 0.47
▸ PYGL P06737 1/20 0.46

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
SCHEMBL4366748 0.94 CYP3A4 (0.54) ITGB1ITGA4ITGB7PSMB5CYP3A4
SCHEMBL11581256 0.88 GFER (0.57) ITGB1ITGA4ITGB7CYP3A4MAPK1
SCHEMBL11581254 0.88 GFER (0.57) ITGB1ITGA4ITGB7CYP3A4MAPK1
SCHEMBL4364556 0.85 CTSL (0.63) PSMB5CYP3A4MAPK1CTSL
SCHEMBL4357884 0.84 CTSL (0.55) CYP3A4MAPK1GFERCTSL
SCHEMBL4367288 0.83 CTSL (0.58) PSMB5CYP3A4MAPK1CTSL
SCHEMBL4369419 0.83 TSHR (0.61) ITGB1ITGA4ITGB7PSMB5
SCHEMBL4363977 0.83 TSHR (0.61) ITGB1ITGA4ITGB7PSMB5
SCHEMBL27679186 0.81 ITGB1 (0.62) ITGB1ITGA4ITGB7PSMB5
SCHEMBL4362318 0.81 ITGB1 (0.62) ITGB1ITGA4ITGB7PSMB5

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 ITGB1 4794/4885ITGA4 4863/4885ITGB7 4755/4885

“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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