SCHEMBL15835720

SCHEMBL15835720

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
KAT6A Q92794 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CTSS P25774 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NLRP3 Q96P20 3/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL15835718 0.90 KAT6A (0.34) KMT2AGAAHPGDKAT6ACYP3A4
SCHEMBL11886489 0.88 CES2 (0.41) KMT2AHPGDKAT6ACTSSNLRP3
SCHEMBL11886497 0.83 CASP3 (0.43) KMT2AGAAHPGDMAPTMEN1
SCHEMBL15835719 0.82
SCHEMBL11938696 0.81 KAT6A (0.33) KMT2AGAAHPGDKAT6ACTSS
SCHEMBL18598222 0.75 CES2 (0.36) KMT2AGAAHPGDMAPTMEN1
SCHEMBL14599856 0.73 KAT6A (0.40) KMT2AHPGDKAT6ACYP3A4MEN1
SCHEMBL15835716 0.72
SCHEMBL24803066 0.72 KAT6A (0.44) KMT2AHPGDKAT6AHSD17B10ALDH1A1
SCHEMBL11886491 0.71 CES2 (0.33) LMNAKDM4E

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 2 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-20140179690-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-26 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 (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 KMT2A 1051/4885GAA 352/4885HPGD 1328/4885

“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.