SCHEMBL20142702

SCHEMBL20142702

CCOC(=O)CCC1CC(C(CC(=O)O)c2ccc(OC)nc2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.38
CHRNA7 P36544 2/20 0.38
ITGB3 P05106 7/20 0.37
ITGAV P06756 7/20 0.37
ITGA2B P08514 1/20 0.37
ITGB5 P18084 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
PTGS2 P35354 1/20 0.35
ITGB6 P18564 1/20 0.34
OXTR P30559 1/20 0.34
CTSA P10619 1/20 0.34

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
SCHEMBL20158106 0.89 CHRNA7 (0.36) FFAR1CHRNA7ITGB3ITGAVITGA2B
SCHEMBL20140412 0.85 CHRNA7 (0.37) FFAR1CHRNA7ITGB3ITGAVITGA2B
SCHEMBL20140528 0.83 CHRNA7 (0.43) FFAR1CHRNA7ITGB3ITGAVITGA2B
SCHEMBL20139821 0.82 CHRNA7 (0.39) FFAR1CHRNA7ITGB3ITGAVITGA2B
SCHEMBL20158102 0.81 CHRNA7 (0.39) FFAR1CHRNA7ITGB3ITGAVITGA2B
SCHEMBL20140461 0.78 CHRNA7 (0.42) FFAR1CHRNA7ITGB3ITGAVITGB1
SCHEMBL20140486 0.76 CHRNA7 (0.42) FFAR1CHRNA7ITGB3ITGAVITGB1
SCHEMBL20158098 0.76 CHRNA7 (0.35) CHRNA7ITGB3ITGAVITGA2BITGB5
SCHEMBL6221916 0.74 FFAR1 (0.43) FFAR1CHRNA7ITGB3ITGAVITGB1
SCHEMBL20158099 0.73 CHRNA7 (0.37) FFAR1CHRNA7ITGB3ITGAVITGA2B

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 FFAR1 1178/4885CHRNA7 656/4885ITGB3 8/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 FFAR1 1171/4885CHRNA7 673/4885ITGB3 7/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 FFAR1 1343/4885CHRNA7 862/4885ITGB3 6/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 FFAR1 1302/4885CHRNA7 895/4885ITGB3 7/4885

“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.