SCHEMBL21706057

SCHEMBL21706057

COC(=O)C(CNC(=O)CC1CC(c2ccc(C(=N)N)cc2)=NO1)C(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 19/20 0.66
▸ ITGA2B P08514 19/20 0.66
▸ ITGB2 P05107 1/20 0.62
▸ ITGAM P11215 1/20 0.62
▸ F2 P00734 1/20 0.61
▸ F10 P00742 1/20 0.61

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
SCHEMBL21706030 0.86 ITGB3 (0.75) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7090791 0.81 ITGB3 (0.89) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL21705670 0.80 ITGB3 (0.80) ITGB3ITGA2BITGB2ITGAMF2
Roxifiban SCHEMBL24336949 0.80 ITGB3 (1.00) ITGB3ITGA2B
Roxifiban SCHEMBL344302 0.80 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7372374 0.79 MIF (0.72) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7373045 0.79 MIF (0.72) ITGB3ITGA2BITGB2ITGAMF2
Roxifiban SCHEMBL919675 0.78 ITGB3 (0.95) ITGB3ITGA2B
SCHEMBL21705409 0.77 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7401821 0.77 ITGB3 (1.00) ITGB3ITGA2BITGB2ITGAMF2

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-11643393-B2 Integrin antagonists THE GENERAL HOSPITAL CORPORATION (US) 2023-05-09 — — US disclosed
US-11643393-B2 Integrin antagonists THE GENERAL HOSPITAL CORPORATION (US) 2023-05-09 — — US disclosed
US-20220081398-A1 Integrin Antagonists THE GENERAL HOSPITAL CORPORATION 2022-03-17 — — US disclosed
WO-2020033724-A1 INTEGRIN ANTAGONISTS THE GENERAL HOSPITAL CORPORATION (US) 2020-02-13 — — 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 (2 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-20220081398-A1 Integrin Antagonists ITGA2B, ITGA2, ITGB2 ITGB3 9/4885ITGA2B 1/4885ITGB2 3/4885
US-11643393-B2 Integrin antagonists ITGA2B, ITGA2, ITGB2 ITGB3 9/4885ITGA2B 1/4885ITGB2 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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