SCHEMBL17397880

SCHEMBL17397880

CC1(C)OB(c2cc3c(cc2C=O)CCO3)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.40
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ DYRK1A Q13627 1/20 0.31
▸ DYRK2 Q92630 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL20861592 0.94 ERN1 (0.40) ERN1CHRM2CHRM1CHRNB2CHRM3
SCHEMBL17397866 0.85 LMNA (0.37) ERN1MAPK1P2RX7
SCHEMBL25078221 0.82 P2RX7 (0.35) MAPK1P2RX7
SCHEMBL17397902 0.80 LMNA (0.47) ERN1MAPK1DYRK1ADYRK2DYRK1B
SCHEMBL20861650 0.80 ERN1 (0.34) ERN1
SCHEMBL15056617 0.78 MAPK1 (0.34) ERN1MAPK1P2RX7
SCHEMBL22802070 0.78 LPL (0.33) ERN1MAPK1P2RX7
SCHEMBL31394434 0.77 MAPK1 (0.38) MAPK1P2RX7
SCHEMBL17822053 0.74 ERN1 (0.49) ERN1CHRM2CHRM1CHRNB2CHRM3
SCHEMBL552698 0.72 ERN1 (0.32) ERN1MAPK1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164404-B1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO CO LTD (JP) 2019-04-03 — — EP disclosed
US-9944660-B2 Tricyclic benzoxaboroles as antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-04-17 — — US disclosed
US-9944660-B2 Tricyclic benzoxaboroles as antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-04-17 — — US disclosed
US-9944660-B2 Tricyclic benzoxaboroles as antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-04-17 — — US disclosed
US-20170174709-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-06-22 — — US disclosed
US-20170174709-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-06-22 — — US disclosed
US-20170174709-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-06-22 — — US disclosed
EP-3164404-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-05-10 — — EP disclosed
WO-2016001834-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-07 — — WO disclosed
WO-2016001834-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-07 — — 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-20170174709-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS REN, ALPI, IKBKE ERN1 907/4885CHRM2 4819/4885CHRM1 4313/4885

“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.

Send feedback