SCHEMBL11938696

SCHEMBL11938696

C=C[C@H](OCC(=O)c1cccc(C)c1F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
CTSS P25774 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
P2RX1 P51575 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MGLL Q99685 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL11028444 0.87 CES2 (0.41) KAT6ACTSSP2RX1HPGD
SCHEMBL11028441 0.87 CES2 (0.41) KAT6ACTSSP2RX1HPGD
SCHEMBL11938690 0.83
SCHEMBL989877 0.82 PTPN1 (0.41) KMT2AMEN1GAA
SCHEMBL6917559 0.82 PTPN1 (0.41) KMT2AMEN1GAA
SCHEMBL15835720 0.81 KMT2A (0.35) KAT6ACTSSKMT2AMEN1SMN1; SMN2
SCHEMBL15835718 0.81 KAT6A (0.34) KAT6AKMT2AGAAHPGD
SCHEMBL20271951 0.72 DGAT1 (0.33) KMT2AMEN1SMN1; SMN2GAAHPGD
SCHEMBL14599856 0.72 KAT6A (0.40) KAT6AKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL11023932 0.70 CES2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940734-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-27 US disclosed
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-05-22 US disclosed
US-20130203740-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-8338407-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-12-25 US disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 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 (3 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-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 KAT6A 2042/4885MRGPRX4 2808/4885CTSS 930/4885
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 KAT6A 2042/4885MRGPRX4 2808/4885CTSS 930/4885
US-20130203740-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 KAT6A 2042/4885MRGPRX4 2808/4885CTSS 930/4885

“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.