SCHEMBL4152850

SCHEMBL4152850

COC(=O)[C@H](Cc1ccc(C2CCOCC2)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 15/20 0.45
▸ ITGB1 P05556 14/20 0.45
▸ ITGB7 P26010 7/20 0.45
▸ ITGA2 P17301 1/20 0.45
▸ ITGA5 P08648 1/20 0.45
▸ CNR2 P34972 3/20 0.44
▸ CNR1 P21554 1/20 0.43

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
SCHEMBL13851720 0.94 ITGB1 (0.52) ITGA4ITGB1ITGB7ITGA2CNR2
SCHEMBL3823453 0.89 ITGA4 (0.55) ITGA4ITGB1ITGB7ITGA2ITGA5
SCHEMBL3824395 0.88 ITGB1 (0.48) ITGA4ITGB1ITGB7ITGA2ITGA5
SCHEMBL13851498 0.84 ITGA4 (0.44) ITGA4ITGB1ITGB7ITGA2ITGA5
SCHEMBL8242092 0.84 CYP2D6 (0.56) ITGA4ITGB1ITGB7ITGA5CNR2
SCHEMBL8245362 0.81 SLC6A9 (0.46) ITGA4ITGB1ITGB7ITGA2ITGA5
SCHEMBL13726463 0.80 ATM (0.59) ITGA4ITGB1ITGB7ITGA2
SCHEMBL5786216 0.80 TSHR (0.57) ITGA4ITGB1ITGB7ITGA2ITGA5
SCHEMBL3819618 0.80 TSHR (0.57) ITGA4ITGB1ITGB7ITGA2ITGA5
SCHEMBL4928013 0.80 ITGB1 (0.54) ITGA4ITGB1ITGB7ITGA2ITGA5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 — — US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 — — US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 — — US disclosed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 — — WO 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-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B ITGA4 23/4885ITGB1 2/4885ITGB7 17/4885

“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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