SCHEMBL1126782

SCHEMBL1126782

CCOC(=O)c1[nH]c(C)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
HPGD P15428 8/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
XBP1 P17861 1/20 0.51
HSD17B10 Q99714 3/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
MAPK10 P53779 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL3344995 0.87 TUBB4A (0.53) ALDH1A1HPGDCYP1A2CYP2C19XBP1
SCHEMBL12971261 0.81 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2CYP2C19XBP1
SCHEMBL20568185 0.80 ALDH1A1 (0.46) ALDH1A1HPGDCYP1A2CYP2C19HSD17B10
SCHEMBL1567586 0.79 PTGER2 (0.53) ALDH1A1HPGDGAAKMT2AKDM4E
SCHEMBL18551877 0.78 ALDH1A1 (0.43) ALDH1A1HPGDCYP1A2CYP2C19XBP1
SCHEMBL6503664 0.77 ALDH1A1 (0.52) ALDH1A1HPGDCYP1A2CYP2C19XBP1
SCHEMBL28552623 0.76 TUBB4A (0.54) ALDH1A1HPGDCYP1A2CYP2C19XBP1
SCHEMBL28290976 0.76 PDE3B (0.64) ALDH1A1HPGDHSD17B10ALOX15GAA
SCHEMBL4830396 0.76 TSHR (0.63) ALDH1A1HPGDCYP1A2CYP2C19HSD17B10
SCHEMBL257250 0.75 ALDH1A1 (0.62) ALDH1A1HPGDCYP1A2CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11413272-B2 Inhibitors of metallo-beta-lactamases OXFORD UNIVERSITY INNOVATION LIMITED 2022-08-16 US disclosed
EP-3630728-B1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIV OXFORD INNOVATION LTD (GB) 2022-07-27 EP disclosed
CN-113429396-A Five-membered heteroaromatic ring derivative and preparation method and application thereof 深圳市祥根生物医药有限公司 2021-09-24 CN disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-3630728-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP disclosed
WO-2018215799-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 WO disclosed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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-11413272-B2 Inhibitors of metallo-beta-lactamases MGAM, GAA, ALPI ALDH1A1 210/4885HPGD 372/4885CYP1A2 131/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI ALDH1A1 210/4885HPGD 372/4885CYP1A2 131/4885
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885HPGD 2971/4885CYP1A2 86/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885HPGD 2971/4885CYP1A2 86/4885

“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.