SCHEMBL20141864

SCHEMBL20141864

CCOC(=O)CC(NC1CN(C(=O)O)C1)c1ccc(OC)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
KCNK3 O14649 5/20 0.38
CHRNA7 P36544 2/20 0.38
P2RX3 P56373 5/20 0.38
P2RX2 Q9UBL9 4/20 0.38
OXTR P30559 2/20 0.37
LMNA P02545 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNK9 Q9NPC2 1/20 0.35

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
SCHEMBL20158209 0.88 PIK3CD (0.42) ITGB1ITGA4LMNAPIK3CDALDH1A1
SCHEMBL20158341 0.85 KCNK3 (0.39) ITGB1ITGA4KCNK3CHRNA7P2RX3
SCHEMBL6108573 0.80 KCNK3 (0.42) ITGB1ITGA4KCNK3CHRNA7OXTR
SCHEMBL6108575 0.80 KCNK3 (0.42) ITGB1ITGA4KCNK3CHRNA7OXTR
SCHEMBL20141568 0.80 ITGB1 (0.43) ITGB1ITGA4KCNK3CHRNA7LMNA
SCHEMBL20153393 0.79 KCNK3 (0.42) ITGB1ITGA4KCNK3P2RX3P2RX2
SCHEMBL23558962 0.77 OXTR (0.39) ITGB1ITGA4KCNK3CHRNA7P2RX3
SCHEMBL20141487 0.76 FFAR1 (0.36) ITGB1ITGA4KCNK3CHRNA7OXTR
SCHEMBL23462651 0.75 KCNK3 (0.39) ITGB1ITGA4KCNK3P2RX3P2RX2
SCHEMBL20158212 0.74 ITGAV (0.60) ITGB1

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 7 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
EP-3538526-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP 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
WO-2018089355-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS 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 (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 ITGB1 1/4885ITGA4 16/4885KCNK3 2096/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGB1 1/4885ITGA4 12/4885KCNK3 1898/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGB1 1/4885ITGA4 13/4885KCNK3 2064/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGB1 1/4885ITGA4 18/4885KCNK3 2201/4885

“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.