SCHEMBL20141257

SCHEMBL20141257

C=CCCCCC(F)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
ABCC4 O15439 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 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
SCHEMBL816652 0.84 ALDH1A1 (0.40) CYP4F2CYP4A11THRBPKMHTT
SCHEMBL14639270 0.83 CYP4F2 (0.39) CYP4F2CYP4A11THRBPKMHTT
SCHEMBL4646581 0.81 CYP4F2 (0.62) CYP4F2CYP4A11THRBPKMHTT
SCHEMBL6067712 0.81 CYP4F2 (0.45) CYP4F2CYP4A11THRBPKMHTT
SCHEMBL2215598 0.80 CYP4F2 (0.65) CYP4F2CYP4A11THRBPKMHTT
SCHEMBL6067681 0.80 CYP4F2 (0.47) CYP4F2CYP4A11THRBPKMHTT
SCHEMBL5352192 0.79 MEN1 (0.39) CYP4F2CYP4A11THRBPKMHTT
SCHEMBL7236425 0.79 LMNA (0.40) CYP4F2CYP4A11THRBPKMHTT
SCHEMBL25280189 0.79 MEN1 (0.56) CYP4F2CYP4A11THRBPKMHTT
SCHEMBL4018595 0.79 MEN1 (0.50) CYP4F2CYP4A11THRBPKMHTT

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 8 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
CN-110167934-B Cyclobutane-and azetidine-containing monocyclic and spiro compounds as alpha V integrin inhibitors 百时美施贵宝公司 2022-06-10 CN 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 CYP4F2 1898/4885CYP4A11 521/4885THRB 88/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 CYP4F2 1685/4885CYP4A11 370/4885THRB 96/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CYP4F2 1550/4885CYP4A11 369/4885THRB 81/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CYP4F2 1531/4885CYP4A11 589/4885THRB 89/4885

“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.