SCHEMBL4919562

SCHEMBL4919562

COC(=O)[C@@H](N)Cc1ccc(OCCCNc2ccccn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 13/20 0.67
▸ ITGAV P06756 13/20 0.67
▸ ITGB1 P05556 9/20 0.67
▸ ITGB6 P18564 3/20 0.67
▸ ITGB5 P18084 3/20 0.67
▸ ITGA5 P08648 5/20 0.58
▸ MDM4 O15151 1/20 0.56
▸ MDM2 Q00987 1/20 0.56
▸ PPARG P37231 1/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ PPARA Q07869 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
Hydrochloric Acid SCHEMBL4071123 0.99 ITGB3 (0.66) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL18056099 0.83 ITGB3 (0.77) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL18077363 0.83 HDAC3 (0.50) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL4064188 0.81 ITGB1 (0.53) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6177908 0.80 ITGB3 (1.00) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL18056100 0.80 ITGB3 (0.63) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL27598292 0.79 ITGB3 (0.63) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL13902119 0.79 — —
SCHEMBL13902100 0.79 — —
SCHEMBL14270716 0.79 ITGB1 (0.83) ITGB3ITGAVITGB1ITGB6ITGB5

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-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 — — US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 — — US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 — — 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ITGB3 6/4885ITGAV 17/4885ITGB1 2/4885

“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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