SCHEMBL2632310

SCHEMBL2632310

CCCCOC[C@H]1C[C@@](NC(=S)NC(=O)c2ccccc2)(c2ccccc2F)[C@H](CO)CO1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 3/20 0.35
GLA P06280 2/20 0.35
ALOX12 P18054 2/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
ACHE P22303 3/20 0.34
NCEH1 Q6PIU2 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 5/20 0.33
NPC1 O15118 3/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
MAPK1 P28482 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
SCHEMBL2107734 0.88 EPHX1 (0.38) EPHX1ALDH1A1KMT2AGLAALOX12
SCHEMBL2622828 0.88 EPHX1 (0.42) EPHX1ALDH1A1KMT2AGLAALOX12
SCHEMBL2109377 0.77 EPHX1 (0.43) EPHX1ALDH1A1KMT2AGLAALOX12
SCHEMBL2631667 0.77 EPHX1 (0.43) EPHX1ALDH1A1KMT2AGLAALOX12
SCHEMBL2109375 0.77 EPHX1 (0.43) EPHX1ALDH1A1KMT2AGLAALOX12
SCHEMBL2111012 0.77 EPHX1 (0.44) EPHX1ALDH1A1KMT2AGLAALOX12
SCHEMBL8034256 0.76 EPHX1 (0.44) EPHX1ALDH1A1KMT2AALOX12MEN1
SCHEMBL2619928 0.76 EPHX1 (0.44) EPHX1ALDH1A1KMT2AALOX12MEN1
SCHEMBL2619933 0.76 EPHX1 (0.44) EPHX1ALDH1A1KMT2AALOX12MEN1
SCHEMBL8028436 0.76 EPHX1 (0.44) EPHX1ALDH1A1KMT2AALOX12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 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-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 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 (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-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885ALDH1A1 3053/4885KMT2A 1384/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885ALDH1A1 3053/4885KMT2A 1384/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885ALDH1A1 3053/4885KMT2A 1384/4885

“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.