SCHEMBL17666032

SCHEMBL17666032

C#CC(=O)N(CC(=O)O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.31
▸ EYA2 O00167 1/20 0.31
▸ APP P05067 1/20 0.31
▸ ACE P12821 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ DRD1 P21728 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ PMP22 Q01453 1/20 0.30

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
SCHEMBL21968454 0.78 — —
SCHEMBL9835163 0.73 TDP1 (0.36) TDP1EYA2APPACEMEN1
SCHEMBL17666029 0.71 TDP1 (0.35) TDP1EYA2APPACEKDM4E
SCHEMBL17666043 0.69 PGR (0.31) ADRA2A
SCHEMBL26779098 0.68 MEN1 (0.35) TDP1EYA2APPACEMEN1
SCHEMBL26773180 0.68 ALDH1A1 (0.43) TDP1EYA2APPACEMEN1
SCHEMBL17666026 0.68 PSMB5 (0.36) TDP1EYA2APPACEKDM4E
SCHEMBL19318549 0.68 TSHR (0.39) TDP1EYA2APPACEMEN1
SCHEMBL17666039 0.67 CHRM1 (0.30) TDP1ADRA1ADRD3SLC6A3
SCHEMBL21365305 0.67 CHRM1 (0.30) TDP1ADRA1ADRD3SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669289-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2020-06-02 — — US disclosed
EP-3201206-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2019-09-18 — — EP disclosed
US-20180179232-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-06-28 — — US disclosed
US-20180179232-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-06-28 — — US disclosed
WO-2016050358-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2016-04-07 — — 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 (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-10669289-B2 Boronic acid derivatives BCL9, BCL9L, BCL6 TDP1 1442/4885EYA2 777/4885APP 4654/4885
US-20180179232-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 TDP1 1442/4885EYA2 777/4885APP 4654/4885

“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.

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