SCHEMBL25912527

SCHEMBL25912527

C/N=C(/NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3o1)C2)C(=O)O)N1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.73
▸ ICAM1 P05362 20/20 0.73
▸ ITGAL P20701 20/20 0.73

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
SCHEMBL4756057 0.92 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL25912347 0.91 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL22296813 0.91 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL13813582 0.91 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL22296880 0.91 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL18868483 0.87 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL12188703 0.87 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL17991453 0.86 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL13665300 0.86 ITGB2 (0.75) ITGB2ICAM1ITGAL
SCHEMBL12188701 0.86 ITGB2 (0.69) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233551-A1 COMPOSITIONS AND METHODS FOR TREATMENT CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2023-07-27 — — 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-20230233551-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL ITGB2 8/4885ICAM1 1/4885ITGAL 3/4885

“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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