SCHEMBL2107734

SCHEMBL2107734

O=C(NC(=S)N[C@@]1(c2ccccc2F)C[C@H](COCc2ccccc2)OC[C@H]1CO)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 11/20 0.35
ALOX12 P18054 6/20 0.35
GLA P06280 3/20 0.35
MITF O75030 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.33
ACHE P22303 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL2632310 0.88 EPHX1 (0.37) EPHX1ALDH1A1ALOX12GLASMN1; SMN2
SCHEMBL2622828 0.86 EPHX1 (0.42) EPHX1ALDH1A1ALOX12GLASMN1; SMN2
SCHEMBL2631625 0.80 EPHX1 (0.36) EPHX1ALDH1A1ALOX12GLAMITF
SCHEMBL15366841 0.80 BACE1 (0.46) EPHX1ALDH1A1ALOX12GLAMITF
SCHEMBL2109591 0.80 EPHX1 (0.41) EPHX1ALDH1A1ALOX12MITFSMN1; SMN2
SCHEMBL2109593 0.80 EPHX1 (0.41) EPHX1ALDH1A1ALOX12MITFSMN1; SMN2
SCHEMBL2620034 0.80 EPHX1 (0.41) EPHX1ALDH1A1ALOX12MITFSMN1; SMN2
SCHEMBL15798977 0.79 BACE1 (0.36) EPHX1ALDH1A1ALOX12GLAMITF
SCHEMBL15768807 0.79 BACE1 (0.36) EPHX1ALDH1A1ALOX12GLAMITF
SCHEMBL2111012 0.79 EPHX1 (0.44) EPHX1ALDH1A1ALOX12GLAMITF

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 10 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-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
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-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
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 EPHX1 2197/4885ALDH1A1 2468/4885ALOX12 306/4885

“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.