SCHEMBL21994422

SCHEMBL21994422

N#CCc1cncc(B(O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.56
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.41
MMP3 P08254 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 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
SCHEMBL23900510 0.79 ENPP2 (0.40) ENPP2CYP11B2CYP11B1
SCHEMBL9952165 0.79 ENPP2 (0.34) ENPP2
SCHEMBL15940842 0.76 ENPP2 (0.50) ENPP2CYP11B2CYP11B1KDM4E
Hydrochloric Acid SCHEMBL29955592 0.75 ENPP2 (0.48) ENPP2CYP11B2CYP11B1
SCHEMBL1303307 0.75 LPL (0.48) ENPP2
SCHEMBL17997487 0.74 DYRK1A (0.36) ENPP2KDM4E
SCHEMBL28967087 0.72 ENPP2 (0.36) ENPP2KDM4E
SCHEMBL473915 0.72 ENPP2 (1.00) ENPP2MMP3KDM4ETDP1KMT2A
SCHEMBL19009019 0.72 THRB (0.34) ENPP2
SCHEMBL11940511 0.71 CYP11B2 (0.44) ENPP2CYP11B2CYP11B1MMP3KDM4E

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
EP-3887371-B1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
US-20210309658-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
EP-3887371-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-10-06 EP disclosed
CN-113166144-A Aryl compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
WO-2020109191-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-06-04 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-20210309658-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION CFTR, QDPR, FPR1 ENPP2 1448/4885CYP11B2 1079/4885CYP11B1 990/4885

“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.