SCHEMBL9913406

SCHEMBL9913406

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.40
BACE1 P56817 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 8/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALOX12 P18054 5/20 0.37
GLA P06280 2/20 0.37
MAPT P10636 4/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL7929459 1.00 EPHX1 (0.40) EPHX1BACE1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9913310 0.87 EPHX1 (0.43) EPHX1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL7924322 0.87 EPHX1 (0.43) EPHX1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2631696 0.84 EPHX1 (0.39) EPHX1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2619901 0.84 EPHX1 (0.39) EPHX1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2108331 0.84 EPHX1 (0.39) EPHX1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3773875 0.84 EPHX1 (0.39) EPHX1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL15366841 0.82 BACE1 (0.46) EPHX1BACE1ALDH1A1KMT2AMEN1
SCHEMBL15768807 0.81 BACE1 (0.36) EPHX1BACE1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL15798977 0.81 BACE1 (0.36) EPHX1BACE1SMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1827/4885BACE1 1/4885SMN1; SMN2 1838/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 EPHX1 2698/4885BACE1 1/4885SMN1; 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.