SCHEMBL8245362

SCHEMBL8245362

CCCS(=O)(=O)N1CCC(c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OC)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 10/20 0.46
▸ GAA P10253 2/20 0.44
▸ ITGB1 P05556 3/20 0.42
▸ ITGA5 P08648 1/20 0.42
▸ ITGA4 P13612 3/20 0.41
▸ ITGB7 P26010 3/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CTSC P53634 1/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ ITGA2 P17301 1/20 0.40

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
SCHEMBL13851544 0.91 ITGA4 (0.50) SLC6A9ITGB1ITGA5ITGA4ITGB7
SCHEMBL13851498 0.89 ITGA4 (0.44) GAAITGB1ITGA5ITGA4ITGB7
SCHEMBL3819070 0.86 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL13851714 0.84 ITGA4 (0.48) ITGB1ITGA4ITGB7CTSCCCR1
SCHEMBL8242092 0.82 CYP2D6 (0.56) GAAITGB1ITGA5ITGA4ITGB7
SCHEMBL3824395 0.81 ITGB1 (0.48) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL4152850 0.81 ITGA4 (0.45) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL3823897 0.80 ITGA4 (0.52) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL13851542 0.76 MEN1 (0.50) GAAITGB1ITGA5ITGA4ITGB7
SCHEMBL13851720 0.76 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGA2

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-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 SLC6A9 3663/4885GAA 2385/4885ITGB1 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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