SCHEMBL17520868

SCHEMBL17520868

O=C(O)c1ccc(OC(F)(F)C(F)F)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 10/20 0.49
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
P4HA1 P13674 1/20 0.44
MIF P14174 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
ASPH Q12797 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29488317 0.85 P4HTM (0.53) P4HTMALDH1A1P4HA1MIFKDM4E
SCHEMBL2300999 0.85 P4HTM (0.53) P4HTMALDH1A1P4HA1MIFKDM4E
SCHEMBL10329128 0.82 P4HTM (0.50) P4HTMALDH1A1P4HA1MIFKDM4E
SCHEMBL17162305 0.82 P4HTM (0.54) P4HTMALDH1A1TSHRP4HA1MIF
SCHEMBL1974946 0.80 P4HTM (0.52) P4HTMALDH1A1TSHRP4HA1MIF
SCHEMBL17162444 0.78 P4HTM (0.50) P4HTMALDH1A1TSHRP4HA1MIF
SCHEMBL11894305 0.78 P4HTM (0.53) P4HTMALDH1A1TSHRP4HA1MIF
SCHEMBL287558 0.78 P4HTM (0.53) P4HTMALDH1A1P4HA1MIFKDM4E
SCHEMBL10680849 0.76 TRPV1 (0.37) ALDH1A1TSHRHSD17B10L3MBTL1TRPV1
SCHEMBL1748982 0.75 P4HTM (0.50) P4HTMALDH1A1P4HA1MIFKDM4E

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-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2017-09-21 US disclosed
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2017-09-21 US disclosed
US-9550762-B2 Cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN, INC. (US) 2017-01-24 US disclosed
US-9550762-B2 Cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN, INC. (US) 2017-01-24 US disclosed
WO-2016022724-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2016-02-11 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-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP P4HTM 1593/4885ALDH1A1 1149/4885TSHR 802/4885

“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.