SCHEMBL21562843

SCHEMBL21562843

O=C(O)CC(Cc1cc(OCCc2ccc3c(n2)NCCC3)[nH]n1)c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.68
ITGB3 P05106 17/20 0.68
ITGB6 P18564 15/20 0.68
ITGA2B P08514 7/20 0.68
ITGB5 P18084 7/20 0.62
ITGB8 P26012 4/20 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
SCHEMBL2841497 0.87 ITGAV (0.74) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL2837431 0.87 ITGAV (0.75) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL1825834 0.86 ITGB3 (0.83) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL1825833 0.86 ITGB3 (0.83) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL2841970 0.84 ITGB3 (0.75) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL5848255 0.81 ITGAV (1.00) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL7678539 0.81 ITGB3 (0.75) ITGAVITGB3ITGB6ITGA2BITGB5
Hydrochloric Acid SCHEMBL5848111 0.80 ITGAV (0.98) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL2838998 0.80 ITGAV (0.78) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6421854 0.80 ITGAV (1.00) ITGAVITGB3ITGB6ITGA2BITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
US-20190345155-A1 INTEGRIN ANTAGONISTS Indalo Therapeutics, Inc. 2019-11-14 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 (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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS ITGB1, ITGAV, ITGA1 ITGAV 2/4885ITGB3 12/4885ITGB6 13/4885
US-20190345155-A1 INTEGRIN ANTAGONISTS ITGA5, ITGB5, ITGB2 ITGAV 10/4885ITGB3 11/4885ITGB6 12/4885

“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.