SCHEMBL21317536

SCHEMBL21317536

CCOC(=O)C[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
CNR1 P21554 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL20158218 0.90 STS (0.42) STSALDH1A1MAPTNPC1MAPK1
SCHEMBL20157732 0.85 STS (0.39) STSALDH1A1MAPTNPC1MAPK1
SCHEMBL20157734 0.80 ALDH1A1 (0.44) STSALDH1A1MAPTNPC1MAPK1
SCHEMBL20157752 0.79 STS (0.44) STSALDH1A1MAPTNPC1MAPK1
SCHEMBL20158349 0.79 STS (0.56) STSALDH1A1MAPTNPC1MAPK1
SCHEMBL21314539 0.77 STS (0.45) STSALDH1A1MAPTNPC1MAPK1
SCHEMBL21314540 0.77 STS (0.45) STSALDH1A1MAPTNPC1MAPK1
SCHEMBL5575926 0.76 STS (0.57) STSALDH1A1MAPTNPC1MAPK1
SCHEMBL28699743 0.76 STS (0.49) STSALDH1A1MAPTNPC1MAPK1
SCHEMBL17062139 0.75 STS (0.55) STSALDH1A1MAPTNPC1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 STS 1053/4885ALDH1A1 981/4885MAPT 1177/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 STS 891/4885ALDH1A1 1000/4885MAPT 1315/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 STS 1072/4885ALDH1A1 1029/4885MAPT 864/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 STS 1175/4885ALDH1A1 1202/4885MAPT 738/4885

“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.