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SCHEMBL14955808

SCHEMBL14955808

CC1(C)OB(c2cc(Cl)c(C(F)(F)F)c(Cl)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 13/20 0.40
▸ LIPG Q9Y5X9 13/20 0.40
▸ F2 P00734 2/20 0.35
▸ F11 P03951 2/20 0.35
▸ PRSS1 P07477 2/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ PRSS3 P35030 2/20 0.35
▸ EGFR P00533 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32

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
SCHEMBL30032666 0.89 LPL (0.35) LPLLIPGF2F11PRSS1
SCHEMBL24616359 0.89 LPL (0.35) LPLLIPGF2F11PRSS1
SCHEMBL587211 0.80 LPL (0.44) LPLLIPGF2F11PRSS1
SCHEMBL2523103 0.79 LPL (0.47) LPLLIPGF11EGFRAAK1
SCHEMBL4789211 0.79 LPL (0.42) LPLLIPGF11EGFRCA1
SCHEMBL14956934 0.78 LPL (0.37) LPLLIPGF2F11PRSS1
SCHEMBL24363863 0.78 LPL (0.44) LPLLIPGF2F11PRSS1
SCHEMBL14956288 0.78 AAK1 (0.38) LPLLIPGF2F11PRSS1
SCHEMBL2204718 0.77 LPL (0.41) LPLLIPGF11EGFRCA1
SCHEMBL24045871 0.77 LPL (0.36) LPLLIPGF2F11PRSS1

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
EP-2782448-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-08-16 — — EP disclosed
CN-104039149-B Boron-containing small molecules 安纳考尔医药公司 2016-11-16 — — CN disclosed
US-20160000813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-01-07 — — US disclosed
US-9156860-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-10-13 — — US disclosed
US-20150025038-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2015-01-22 — — US disclosed
US-8853186-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-10-07 — — US disclosed
EP-2782448-A1 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2014-10-01 — — EP disclosed
WO-2013078070-A1 BORON-CONTAINING SMALL MOLECULES ELI LILLY AND COMPANY (US) 2013-05-30 — — WO disclosed
US-20130131016-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-05-23 — — US 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 (3 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-20160000813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, SLC7A5, BCL6 LPL 4250/4885LIPG 3015/4885F2 4871/4885
US-20130131016-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, SLC7A5, BCL6 LPL 4250/4885LIPG 3015/4885F2 4871/4885
US-20150025038-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, SLC7A5, BCL6 LPL 4250/4885LIPG 3015/4885F2 4871/4885

“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.