SCHEMBL20314816

SCHEMBL20314816

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ ZDHHC20 Q5W0Z9 2/20 0.32
▸ ZDHHC2 Q9UIJ5 1/20 0.30
▸ EYA2 O00167 1/20 0.30
▸ APP P05067 1/20 0.30
▸ ACE P12821 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL17666026 0.75 PSMB5 (0.36) EYA2APPACETDP1
SCHEMBL23893966 0.73 ALDH1A1 (0.36) CYP1A2EYA2APPACETDP1
SCHEMBL17666038 0.72 CA12 (0.39) EYA2APPACETDP1
SCHEMBL2467758 0.71 TDP1 (0.52) CYP1A2DPP4ZDHHC20EYA2APP
SCHEMBL17666030 0.71 — —
SCHEMBL20314817 0.71 — —
SCHEMBL20314809 0.71 ZDHHC20 (0.54) CYP1A2DPP4ZDHHC20ZDHHC2
SCHEMBL3939074 0.69 TDP1 (0.50) CYP1A2DPP4ZDHHC20EYA2APP
SCHEMBL16166221 0.68 — —
SCHEMBL1725614 0.66 MCL1 (0.39) EYA2APPACETDP1

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-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

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 CYP1A2 3721/4885DPP4 2071/4885ZDHHC20 3001/4885
US-20180179232-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 CYP1A2 3721/4885DPP4 2071/4885ZDHHC20 3001/4885

“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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