SCHEMBL7922772

SCHEMBL7922772

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.42
ALDH1A1 P00352 10/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALOX12 P18054 5/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
GLA P06280 2/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL12557861 1.00 EPHX1 (0.42) EPHX1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1934751 0.92 EPHX1 (0.39) EPHX1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9913317 0.89 EPHX1 (0.41) EPHX1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2111012 0.85 EPHX1 (0.44) EPHX1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2631629 0.83 EPHX1 (0.42) EPHX1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3803423 0.83 EPHX1 (0.42) EPHX1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2632313 0.83 EPHX1 (0.42) EPHX1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL18597910 0.83 EPHX1 (0.42) EPHX1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2108331 0.83 EPHX1 (0.39) EPHX1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3773875 0.83 EPHX1 (0.39) EPHX1ALDH1A1SMN1; SMN2KMT2AMEN1

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
EP-2332943-B1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-04-22 EP disclosed
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-25 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
WO-2010038686-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2010-04-08 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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP EPHX1 1827/4885ALDH1A1 2506/4885SMN1; SMN2 1838/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 EPHX1 2698/4885ALDH1A1 1687/4885SMN1; SMN2 2806/4885

“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.