SCHEMBL17666019

SCHEMBL17666019

C=CC(=O)N(CC(=O)O)c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 6/20 0.56
GSTO1 P78417 4/20 0.48
PSMB5 P28074 1/20 0.41
GSR P00390 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
AKR1B1 P15121 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL26624956 0.83 GSTO1 (0.49) BCL2A1GSTO1PSMB5TDP1AKR1B1
SCHEMBL14383487 0.81 GSTO1 (0.48) BCL2A1GSTO1PSMB5TDP1CYP1A2
SCHEMBL20314806 0.81 GSTO1 (0.48) BCL2A1GSTO1PSMB5TDP1
SCHEMBL17666071 0.81 PSMB5 (0.51) BCL2A1GSTO1PSMB5TDP1
SCHEMBL7104395 0.79 ALDH1A1 (0.41) BCL2A1TDP1AKR1B1TP53
SCHEMBL2992708 0.78 GSTO1 (0.54) BCL2A1GSTO1PSMB5TP53
SCHEMBL9134770 0.76 GABRP (0.38) BCL2A1TDP1AKR1B1TP53
SCHEMBL17666020 0.76 GSTO1 (0.43) BCL2A1GSTO1PSMB5TDP1
SCHEMBL7838834 0.75 BCL2A1 (0.44) BCL2A1TDP1TP53
SCHEMBL341820 0.74 TDP1 (0.56) TDP1AKR1B1

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 BCL2A1 54/4885GSTO1 2482/4885PSMB5 105/4885
US-20180179232-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 BCL2A1 54/4885GSTO1 2482/4885PSMB5 105/4885

“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.