SCHEMBL21314435

SCHEMBL21314435

C=CCCCCC1(C)CN(C(CC(=O)O)c2ccc(OC)nc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 11/20 0.43
ITGB3 P05106 10/20 0.43
ITGB1 P05556 3/20 0.41
ITGA5 P08648 2/20 0.41
ITGB6 P18564 2/20 0.41
ITGB8 P26012 2/20 0.41
ITGA2B P08514 1/20 0.41
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HSD11B1 P28845 1/20 0.33
ITGA4 P13612 1/20 0.33
FFAR1 O14842 1/20 0.33
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
IDH1 O75874 1/20 0.31
RAB9A P51151 1/20 0.31
CTSA P10619 1/20 0.31

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
SCHEMBL20140498 1.00 ITGAV (0.43) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21314434 1.00 ITGAV (0.43) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20140602 1.00 ITGAV (0.43) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21317550 0.90 ITGB3 (0.35) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL28744166 0.90 ITGB3 (0.35) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21314477 0.87 ITGAV (0.46) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21314474 0.87 ITGAV (0.46) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20140062 0.87 ITGAV (0.46) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20140718 0.79 ITGAV (0.42) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21314501 0.79 ITGAV (0.42) ITGAVITGB3ITGB1ITGA5ITGB6

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-3538526-B1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-04-10 EP disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-25 US disclosed
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-05 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 (4 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-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGAV 2/4885ITGB3 8/4885ITGB1 1/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGAV 2/4885ITGB3 7/4885ITGB1 1/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGAV 4/4885ITGB3 6/4885ITGB1 1/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGAV 4/4885ITGB3 7/4885ITGB1 1/4885

“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.