SCHEMBL21705490

SCHEMBL21705490

CC(C)(C)C(CCNC(=O)CCCCc1ccc2c(n1)NCCC2)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.71
ITGB3 P05106 18/20 0.71
ITGB6 P18564 7/20 0.58
ITGB1 P05556 1/20 0.57
ITGA4 P13612 1/20 0.57
ITGB5 P18084 5/20 0.56
ITGB8 P26012 5/20 0.56

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
SCHEMBL26480263 0.93 ITGAV (0.69) ITGAVITGB3ITGB6ITGB1ITGA4
SCHEMBL24363125 0.88 ITGAV (0.75) ITGAVITGB3ITGB6ITGB1ITGA4
SCHEMBL22029428 0.88 ITGAV (0.75) ITGAVITGB3ITGB6ITGB1ITGA4
SCHEMBL24336626 0.86 ITGAV (0.67) ITGAVITGB3ITGB6ITGB1ITGA4
SCHEMBL21706034 0.86 ITGAV (0.75) ITGAVITGB3ITGB6ITGB1ITGA4
SCHEMBL22029478 0.86 ITGAV (0.75) ITGAVITGB3ITGB6ITGB1ITGA4
SCHEMBL24362780 0.85 ITGB3 (0.83) ITGAVITGB3ITGB6ITGB1ITGA4
SCHEMBL22029431 0.85 ITGB3 (0.83) ITGAVITGB3ITGB6ITGB1ITGA4
SCHEMBL21705572 0.85 ITGAV (0.71) ITGAVITGB3ITGB6ITGB1ITGA4
SCHEMBL6421618 0.83 ITGB3 (1.00) ITGAVITGB3ITGB6ITGB5ITGB8

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-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 ITGAV 5/4885ITGB3 9/4885ITGB6 16/4885
US-11643393-B2 Integrin antagonists ITGA2B, ITGA2, ITGB2 ITGAV 5/4885ITGB3 9/4885ITGB6 16/4885

“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.