SCHEMBL2108407

SCHEMBL2108407

O=C(NC(=S)N[C@@]1(c2ccccc2F)CO[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1CO)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
ALDH1A1 P00352 9/20 0.34
ALOX12 P18054 5/20 0.34
LMNA P02545 3/20 0.34
GLA P06280 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
RECQL P46063 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPK1 P28482 1/20 0.32
MITF O75030 1/20 0.31

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
SCHEMBL2632297 1.00 EPHX1 (0.37) EPHX1ALDH1A1ALOX12LMNAGLA
SCHEMBL3773247 1.00 EPHX1 (0.37) EPHX1ALDH1A1ALOX12LMNAGLA
SCHEMBL11026926 0.94 EPHX1 (0.35) EPHX1ALDH1A1ALOX12LMNAGLA
SCHEMBL18598080 0.94 EPHX1 (0.35) EPHX1ALDH1A1ALOX12LMNAGLA
SCHEMBL11888097 0.94 EPHX1 (0.35) EPHX1ALDH1A1ALOX12LMNAGLA
SCHEMBL12500945 0.92 ALDH1A1 (0.36) EPHX1ALDH1A1ALOX12LMNAGLA
SCHEMBL18011816 0.91 BACE1 (0.35) EPHX1ALDH1A1ALOX12LMNAGLA
SCHEMBL2108331 0.88 EPHX1 (0.39) EPHX1ALDH1A1ALOX12LMNAGLA
SCHEMBL2631696 0.88 EPHX1 (0.39) EPHX1ALDH1A1ALOX12LMNAGLA
SCHEMBL2619901 0.88 EPHX1 (0.39) EPHX1ALDH1A1ALOX12LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079914-B2 Fused aminodihydro-oxazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-07-14 US disclosed
US-9079914-B2 Fused aminodihydro-oxazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-07-14 US disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
EP-2653473-A1 Fused Aminodihydro-Oxazine Derivatives Eisai R&D Management Co., Ltd. (JP) 2013-10-23 EP disclosed
EP-2653473-A1 Fused Aminodihydro-Oxazine Derivatives Eisai R&D Management Co., Ltd. (JP) 2013-10-23 EP disclosed
EP-2456774-B1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2013-09-04 EP disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-20120202804-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-09 US disclosed
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 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 (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-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885ALDH1A1 3053/4885ALOX12 113/4885
US-20120202804-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 617/4885ALDH1A1 1802/4885ALOX12 79/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885ALDH1A1 3053/4885ALOX12 113/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885ALDH1A1 3053/4885ALOX12 113/4885

“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.