SCHEMBL20140467

SCHEMBL20140467

C=CCCCCC(C)(CO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.43
MAPT P10636 3/20 0.42
ABCC4 O15439 1/20 0.42
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 1/20 0.34
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 3/20 0.31
CYP3A4 P08684 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 2/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL4904722 0.86 MAPT (0.45) ACLYMAPTABCC4ALDH1A1LMNA
SCHEMBL22367729 0.85 ACLY (0.43) ACLYMAPTABCC4ALDH1A1LMNA
SCHEMBL9655594 0.81 ABCC4 (0.41) ACLYMAPTABCC4ALDH1A1LMNA
SCHEMBL17950998 0.81 MAPT (0.67) ACLYMAPTABCC4ALDH1A1LMNA
SCHEMBL4647923 0.79 ACLY (0.68) ACLYMAPTABCC4ALDH1A1LMNA
SCHEMBL11417008 0.78 CYP4F2 (0.41) ACLYALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL6067605 0.77 MAPT (0.50) ACLYMAPTABCC4ALDH1A1LMNA
SCHEMBL5606760 0.77 MAPT (0.50) ACLYMAPTABCC4ALDH1A1LMNA
SCHEMBL3111881 0.77 ACLY (0.71) ACLYMAPTABCC4ALDH1A1LMNA
SCHEMBL18420923 0.77 MAPT (0.50) ACLYMAPTABCC4ALDH1A1LMNA

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 9 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-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 ACLY 4742/4885MAPT 1177/4885ABCC4 1951/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ACLY 4778/4885MAPT 1315/4885ABCC4 1754/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ACLY 4814/4885MAPT 864/4885ABCC4 2044/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ACLY 4689/4885MAPT 738/4885ABCC4 2039/4885

“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.