SCHEMBL989877

SCHEMBL989877

C=CC(OCC(=O)c1ccccc1F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
CTNNB1 P35222 3/20 0.37
WNT3A P56704 3/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 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
SCHEMBL6917559 1.00 PTPN1 (0.41) PTPN1ERCC5FEN1CASP3SENP7
SCHEMBL11028444 0.89 CES2 (0.41) PTPN1ERCC5FEN1CASP3SENP7
SCHEMBL11028441 0.89 CES2 (0.41) PTPN1ERCC5FEN1CASP3SENP7
SCHEMBL21764224 0.83 CES2 (0.32) CES2CES1ALDH1A1ALOX15
SCHEMBL20271951 0.82 DGAT1 (0.33) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL11938696 0.82 KAT6A (0.33) KMT2AMEN1GAA
SCHEMBL11024316 0.81 KDM4E (0.30) CES2CES1LMNAKDM4E
SCHEMBL11886483 0.81 KDM4E (0.30) CES2CES1LMNAKDM4E
SCHEMBL990456 0.81 KDM4E (0.30) CES2CES1LMNAKDM4E
SCHEMBL11021476 0.81 KDM4E (0.30) CES2CES1LMNAKDM4E

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062773-A1 4,4a,5,7-TETRAHYDRO-3H-FURO[3,4-b]PYRIDINYL COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-27 US disclosed
EP-2665716-B1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2017-03-08 EP disclosed
EP-2665716-B1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2017-03-08 EP disclosed
EP-2665732-B1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-03-30 EP disclosed
EP-2665732-B1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-03-30 EP disclosed
US-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US disclosed
US-9079914-B2 Fused aminodihydro-oxazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-07-14 US disclosed
US-8962858-B2 Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-24 US disclosed
US-8962858-B2 Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-24 US disclosed
US-8962858-B2 Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-24 US disclosed
WO-2012098213-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
WO-2012098213-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
WO-2012100179-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
WO-2012100179-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
EP-2456774-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2012-05-30 EP disclosed
EP-2456771-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2012-05-30 EP disclosed
WO-2011009897-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 WO disclosed
WO-2011009898-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 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 (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-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 PTPN1 3417/4885ERCC5 2012/4885FEN1 666/4885
US-20200062773-A1 4,4a,5,7-TETRAHYDRO-3H-FURO[3,4-b]PYRIDINYL COMPOUNDS BACE1, APP, PSEN1 PTPN1 3679/4885ERCC5 2020/4885FEN1 663/4885

“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.