Sugi Predict

Sugi Predict / Compounds / SCHEMBL23747269

SCHEMBL23747269

SCHEMBL23747269

CCOC(=O)C[C@@H](c1cc(Cl)cc(Cl)c1)N(C(C)=O)C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 2/20 0.36
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NR1D1 P20393 1/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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 0.88 STS (0.37) STSDDB1CRBNTP53POLB
SCHEMBL21314409 0.87 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2NPSR1LMNAGAA
SCHEMBL20157752 0.81 STS (0.44) STSTP53POLBALDH1A1SMN1; SMN2
SCHEMBL20157734 0.81 ALDH1A1 (0.44) STSTP53POLBALDH1A1SMN1; SMN2
SCHEMBL30487540 0.79 STS (0.35) STSTP53POLBALDH1A1SMN1; SMN2
SCHEMBL20158218 0.78 STS (0.42) STSTP53POLBNR1H2ALDH1A1
SCHEMBL20141452 0.74 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2NPSR1LMNADPP4
SCHEMBL21317536 0.73 STS (0.50) STSTP53POLBALDH1A1SMN1; SMN2
SCHEMBL20157732 0.70 STS (0.39) STSTP53POLBALDH1A1SMN1; SMN2
SCHEMBL20141269 0.68 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2NPSR1GAA

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 STS 891/4885DDB1 4285/4885CRBN 1272/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 STS 1072/4885DDB1 4119/4885CRBN 1028/4885

“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.