SCHEMBL20157751

SCHEMBL20157751

COC(=O)C[C@H](NC(=O)C1CCNCC1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.44
ITGA2B P08514 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
WDR5 P61964 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F2R P25116 1/20 0.36

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
SCHEMBL26462366 0.84 ITGB3 (0.35) ITGB3ITGA2BSMN1; SMN2ITGB1ITGA4
SCHEMBL20158349 0.80 STS (0.56) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL20157749 0.79 HDAC1 (0.41) ITGB3ITGA2BSMN1; SMN2
SCHEMBL20141286 0.77 ITGB1 (0.35) ITGB3ITGA2BSMN1; SMN2ITGB1ITGA4
SCHEMBL21317519 0.75 STS (0.41) ITGB3ITGA2BALDH1A1ITGB1ITGA4
SCHEMBL20156329 0.74 L3MBTL1 (0.44) SMN1; SMN2ALDH1A1GAAWDR5MEN1
SCHEMBL20156328 0.74 L3MBTL1 (0.44) SMN1; SMN2ALDH1A1GAAWDR5MEN1
SCHEMBL20156327 0.74 L3MBTL1 (0.44) SMN1; SMN2ALDH1A1GAAWDR5MEN1
SCHEMBL24036755 0.74 L3MBTL1 (0.42) ITGB3SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL30487482 0.72 HDAC1 (0.34) ITGB3ITGA2BITGB1ITGA4WDR5

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 ITGB3 7/4885ITGA2B 5/4885SMN1; SMN2 2721/4885

“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.