SCHEMBL19602569

SCHEMBL19602569

COC(=O)c1ccc(CBr)c(Br)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.38
▸ HPGD P15428 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MEP1B Q16820 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ GLA P06280 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36

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
SCHEMBL28302431 0.87 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EHPGDNPSR1
SCHEMBL31691316 0.82 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL19602571 0.82 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EHPGDNPSR1
SCHEMBL19602441 0.81 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EHPGDCA1
SCHEMBL9480301 0.79 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EHPGDNPSR1
SCHEMBL30452267 0.79 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EHPGDNPSR1
SCHEMBL19602568 0.78 KDM4E (0.41) ALDH1A1LMNAKDM4EHPGDNPSR1
SCHEMBL30827683 0.77 ABL1 (0.40) ALDH1A1LMNAKDM4EHPGDNPSR1
SCHEMBL1760164 0.77 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EHPGDCA1
SCHEMBL6852879 0.76 CA1 (0.52) ALDH1A1LMNAKDM4EHPGDNPSR1

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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 — — US disclosed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 — — US disclosed
EP-3578562-B1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES ANACOR PHARMACEUTICALS INC (US) 2021-06-23 — — EP disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 — — US disclosed
WO-2017195069-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 — — 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 (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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ALDH1A1 585/4885LMNA 2067/4885KDM4E 2081/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ALDH1A1 585/4885LMNA 2067/4885KDM4E 2081/4885

“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