SCHEMBL2108589

SCHEMBL2108589

COC(OC)[C@H]1COCC[C@@]1(NC(=S)NC(=O)c1ccccc1)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
ALDH1A1 P00352 7/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 2/20 0.37
ALOX12 P18054 3/20 0.35
CCR6 P51684 1/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 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
SCHEMBL2109978 0.81 EPHX1 (0.42) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2108594 0.81 EPHX1 (0.37) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12557558 0.76 EPHX1 (0.41) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13391356 0.76 EPHX1 (0.41) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9913314 0.76 EPHX1 (0.41) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15705150 0.76 EPHX1 (0.45) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7922772 0.74 EPHX1 (0.42) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12557861 0.74 EPHX1 (0.42) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2620008 0.74 EPHX1 (0.41) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2111012 0.73 EPHX1 (0.44) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2

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-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP 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
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-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 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

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 3053/4885NPC1 398/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885ALDH1A1 3053/4885NPC1 398/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885ALDH1A1 3053/4885NPC1 398/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 EPHX1 2197/4885ALDH1A1 2468/4885NPC1 654/4885

“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.