SCHEMBL11293044

SCHEMBL11293044

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
ALDH1A1 P00352 7/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 4/20 0.38
GLA P06280 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
RECQL P46063 1/20 0.36
MAPK1 P28482 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL2108798 0.91 EPHX1 (0.41) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL8034193 0.91 EPHX1 (0.41) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL2108797 0.91 EPHX1 (0.41) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL2631696 0.89 EPHX1 (0.39) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL2108331 0.89 EPHX1 (0.39) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL3773875 0.89 EPHX1 (0.39) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL2619901 0.89 EPHX1 (0.39) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL3803423 0.87 EPHX1 (0.42) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL2631629 0.87 EPHX1 (0.42) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL18597910 0.87 EPHX1 (0.42) EPHX1ALDH1A1LMNAMAPTALOX12

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-9175013-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-11-03 US disclosed
US-9175013-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-11-03 US disclosed
US-20140179690-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-26 US disclosed
US-20140179690-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-26 US disclosed
EP-2665731-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2013-11-27 EP disclosed
WO-2012098461-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
WO-2012098461-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 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 (1 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-20140179690-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1120/4885ALDH1A1 1346/4885LMNA 3253/4885

“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.