SCHEMBL17666026

SCHEMBL17666026

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nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.36
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ EYA2 O00167 1/20 0.32
▸ APP P05067 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ FFAR3 O14843 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ SLC6A2 P23975 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
SCHEMBL8439312 0.84 — —
SCHEMBL17666038 0.83 CA12 (0.39) LMNAALDH1A1TSHRTDP1EYA2
SCHEMBL23893966 0.77 ALDH1A1 (0.36) LMNAALDH1A1ALDH2TSHRTDP1
SCHEMBL20314816 0.75 CYP1A2 (0.33) TDP1EYA2APPACE
SCHEMBL8891629 0.74 LMNA (0.40) LMNAALDH1A1ALDH2TSHRMMP1
SCHEMBL17666030 0.74 — —
SCHEMBL20314817 0.74 — —
SCHEMBL17666029 0.73 TDP1 (0.35) PSMB5LMNATSHRTDP1EYA2
SCHEMBL3714284 0.72 LMNA (0.39) LMNAALDH1A1ALDH2TSHRMMP1
SCHEMBL16166221 0.71 — —

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
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 (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-20180179232-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 PSMB5 105/4885LMNA 1855/4885ALDH1A1 1217/4885

“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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