SCHEMBL12475742

SCHEMBL12475742

CNC(=O)c1cccc(B(O)OC(C)(C)C(C)(C)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SLC7A5 Q01650 1/20 0.39
F10 P00742 2/20 0.39
PLK1 P53350 1/20 0.36
F2 P00734 1/20 0.36
KIF11 P52732 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLAU P00749 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MRGPRX4 Q96LA9 2/20 0.34
CREBBP Q92793 1/20 0.34
LOX P28300 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL12476441 0.86 HDAC8 (0.36) HDAC8HDAC6F10PLK1F2
SCHEMBL9893361 0.85 LOXL2 (0.42) SLC7A5KMT2ATSHRSMN1; SMN2KDM4E
SCHEMBL13571463 0.85 RXRA (0.40) F2KMT2AMRGPRX4HPGDSMN1; SMN2
SCHEMBL6607443 0.84 PLAU (0.49) F10PLK1PLAUHPGDTSHR
SCHEMBL4429925 0.84 HSD17B10 (0.41) L3MBTL1MEN1KMT2AMRGPRX4LOX
SCHEMBL15192320 0.82 ATM (0.46) L3MBTL1HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL1366312 0.81 ALDH1A1 (0.44) MEN1KMT2AMRGPRX4ALDH1A1
SCHEMBL6610483 0.80 HPGD (0.41) HDAC8HDAC6PLK1HPGDTSHR
SCHEMBL2208561 0.79 FYN (0.47) L3MBTL1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL9893898 0.79 CYP4F2 (0.44) F10KMT2AHPGDTSHRSMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273260-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2019-04-30 US disclosed
EP-2672820-B1 MANNOSIDE COMPOUNDS AND METHODS OF USE THEREOF UNIV WASHINGTON (US) 2019-04-17 EP disclosed
US-20170247401-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS WASHINGTON UNIVERSITY 2017-08-31 US disclosed
US-9567362-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2017-02-14 US disclosed
US-20150197538-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-16 US disclosed
US-8937167-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2015-01-20 US disclosed
EP-2672820-A1 MANNOSIDE COMPOUNDS AND METHODS OF USE THEREOF The Washington University (US) 2013-12-18 EP disclosed
US-20120309701-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS THE WASHINGTON UNIVERSITY (US) 2012-12-06 US disclosed
WO-2012109263-A1 MANNOSIDE COMPOUNDS AND METHODS OF USE THEREOF THE WASHINGTON UNIVERSITY (US) 2012-08-16 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 (4 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-10273260-B2 Compounds and methods for treating bacterial infections MMP8, ELANE, GUSB HDAC8 1770/4885HDAC6 125/4885SLC7A5 2930/4885
US-20120309701-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB HDAC8 1770/4885HDAC6 125/4885SLC7A5 2930/4885
US-20170247401-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB HDAC8 1770/4885HDAC6 125/4885SLC7A5 2930/4885
US-20150197538-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB HDAC8 1770/4885HDAC6 125/4885SLC7A5 2930/4885

“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.