SCHEMBL14733555

SCHEMBL14733555

O=C(NC(=S)N[C@@]1(c2ccccc2F)CO[C@@H](COCc2ccccc2)C[C@H]1CO)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.35
EPHX2 P34913 1/20 0.34
KMT2A Q03164 2/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
OPRD1 P41143 1/20 0.31
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
TNF P01375 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL14733557 0.94 BACE1 (0.43) BACE1EPHX2KMT2ADPP8DPP9
SCHEMBL7918847 0.81 KMT2A (0.36) EPHX2KMT2ADPP8DPP9OPRD1
SCHEMBL14716482 0.80 BACE1 (0.47) BACE1BACE2TP53MDM2FFAR4
SCHEMBL14716789 0.79 BACE1 (0.39) BACE1BACE2FFAR4
SCHEMBL2619850 0.79 KMT2A (0.35) EPHX2KMT2ADPP8DPP9MDM4
SCHEMBL2926269 0.79 KMT2A (0.35) EPHX2KMT2ADPP8DPP9MDM4
SCHEMBL8028572 0.79 KMT2A (0.35) EPHX2KMT2ADPP8DPP9MDM4
SCHEMBL8018850 0.79 KMT2A (0.35) EPHX2KMT2ADPP8DPP9MDM4
SCHEMBL2619847 0.79 KMT2A (0.35) EPHX2KMT2ADPP8DPP9MDM4
SCHEMBL15366841 0.78 BACE1 (0.46) BACE1KMT2ABACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550795-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2017-01-24 US disclosed
US-9550795-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2017-01-24 US disclosed
EP-2751116-B1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2016-10-12 EP disclosed
US-20150087637-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2015-03-26 US disclosed
US-20150087637-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2015-03-26 US disclosed
US-8933221-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-01-13 US disclosed
US-8933221-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-01-13 US disclosed
WO-2013030713-A1 HEXAHYDROPYRANO [3,4-D][1,3] THIAZIN-2-AMINE COMPOUNDS PFIZER INC. (US) 2013-03-07 WO disclosed
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds BRODNEY MICHAEL AARON (US) 2013-02-28 US disclosed
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds BRODNEY MICHAEL AARON (US) 2013-02-28 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-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR BACE1 3093/4885EPHX2 1796/4885KMT2A 3136/4885
US-20150087637-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR BACE1 3093/4885EPHX2 1796/4885KMT2A 3136/4885

“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.