SCHEMBL20153311

SCHEMBL20153311

CCOC(=O)CC(c1ccc(OC)nc1)n1ccc(OCCCc2ccc3cccnc3n2)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.36
ITGAV P06756 13/20 0.36
ITGB1 P05556 2/20 0.36
ITGA5 P08648 2/20 0.36
ITGB6 P18564 4/20 0.36
ITGA2B P08514 1/20 0.36
ITGB8 P26012 1/20 0.36
SUCNR1 Q9BXA5 7/20 0.35
OXGR1 Q96P68 1/20 0.35
BDKRB1 P46663 1/20 0.33

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
SCHEMBL21311521 0.93 ITGB3 (0.38) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL20140487 0.85 ITGB3 (0.39) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL20153309 0.84 KDM4E (0.35) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL21311584 0.83 ITGB3 (0.38) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL20153312 0.82 ITGAV (0.57) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL20153330 0.81 OXTR (0.35) SUCNR1OXGR1
SCHEMBL22600433 0.81 SUCNR1 (0.35) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL21282934 0.81 SUCNR1 (0.35) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL21311520 0.81 ITGB3 (0.37) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL20153308 0.80 KDM4E (0.35) ITGB3ITGAVITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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 (3 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-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 ITGB3 2/4885ITGAV 1/4885ITGB1 3/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 ITGB3 2/4885ITGAV 1/4885ITGB1 3/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ITGB3 1/4885ITGAV 3/4885ITGB1 2/4885

“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.