SCHEMBL20157734

SCHEMBL20157734

CCOC(=O)C[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
STS P08842 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
GPR119 Q8TDV5 8/20 0.41
NOTCH1 P46531 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DPP4 P27487 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL30487464 0.90 STS (0.37) ALDH1A1SMN1; SMN2NPSR1STSMEN1
SCHEMBL20157752 0.87 STS (0.44) ALDH1A1SMN1; SMN2NPSR1STSMEN1
SCHEMBL23747269 0.81 STS (0.36) ALDH1A1SMN1; SMN2NPSR1STSMEN1
SCHEMBL21317536 0.80 STS (0.50) ALDH1A1SMN1; SMN2NPSR1STSMEN1
SCHEMBL20141452 0.79 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2NPSR1LMNANPC1
SCHEMBL30487540 0.76 STS (0.35) ALDH1A1SMN1; SMN2NPSR1STSMEN1
SCHEMBL20158218 0.74 STS (0.42) ALDH1A1SMN1; SMN2NPSR1STSMEN1
SCHEMBL17062139 0.73 STS (0.55) ALDH1A1STSMEN1KMT2AGPR119
SCHEMBL16095809 0.72 GPR119 (0.46) MEN1KMT2AGAAGPR119L3MBTL1
SCHEMBL4712413 0.71 MEN1 (0.48) ALDH1A1SMN1; SMN2NPSR1STSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ALDH1A1 1000/4885SMN1; SMN2 2721/4885NPSR1 1053/4885

“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.