SCHEMBL25912568

SCHEMBL25912568

Cc1cc2c(c(C)c1C(=O)NC(CN/C(=N\C#N)N1CCCC1)C(=O)O)CCN(C(=O)c1cc3cccnc3o1)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 19/20 0.43
▸ ICAM1 P05362 19/20 0.43
▸ ITGAL P20701 19/20 0.43
▸ ITGB1 P05556 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ ITGA5 P08648 1/20 0.36
▸ ITGA4 P13612 1/20 0.36

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
SCHEMBL19158403 0.90 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL16270928 0.89 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL19158602 0.89 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL16270927 0.89 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL22296809 0.89 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL23153576 0.89 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL19157704 0.81 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL4756049 0.81 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL12054525 0.81 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL22296929 0.80 ITGB2 (0.53) 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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