SCHEMBL17666035

SCHEMBL17666035

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nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL17666043 1.00 PGR (0.31) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL21365305 0.85 CHRM1 (0.30) HTR2AHRH1
SCHEMBL17666044 0.85 CHRM1 (0.30) HTR2AHRH1
SCHEMBL17666039 0.85 CHRM1 (0.30) HTR2AHRH1
SCHEMBL21968454 0.81 — —
SCHEMBL20326250 0.74 CHRM1 (0.35) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL17666037 0.72 TP53 (0.32) —
SCHEMBL20314818 0.72 TP53 (0.32) —
SCHEMBL10935808 0.71 ABCB11 (0.41) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL17666040 0.71 TP53 (0.31) —

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 PGR 983/4885ADRA2A 4597/4885ADRA2B 3998/4885
US-20180179232-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 PGR 983/4885ADRA2A 4597/4885ADRA2B 3998/4885

“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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