SCHEMBL14716482

SCHEMBL14716482

O=C(O)NC(=S)N[C@@]1(c2ccc(F)cc2F)CO[C@@H](COCc2ccccc2)C[C@H]1CO

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.47
BACE2 Q9Y5Z0 6/20 0.36
GRM5 P41594 2/20 0.35
FFAR4 Q5NUL3 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
PPIA P62937 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL15366841 0.93 BACE1 (0.46) BACE1BACE2GRM5RAB9ANPC1
SCHEMBL14733557 0.88 BACE1 (0.43) BACE1BACE2GRM5TP53MDM2
SCHEMBL19725798 0.87 BACE1 (0.49) BACE1BACE2GRM5FFAR4RAB9A
SCHEMBL15768842 0.83 BACE1 (0.38) BACE1BACE2RAB9ANPC1LMNA
SCHEMBL15768807 0.80 BACE1 (0.36) BACE1BACE2LMNAALDH1A1
SCHEMBL15798977 0.80 BACE1 (0.36) BACE1BACE2LMNAALDH1A1
SCHEMBL15366789 0.80 BACE1 (0.45) BACE1BACE2RAB9ANPC1LMNA
SCHEMBL14733555 0.80 BACE1 (0.35) BACE1BACE2FFAR4TP53MDM2
SCHEMBL14716789 0.79 BACE1 (0.39) BACE1BACE2GRM5FFAR4LMNA
SCHEMBL15938986 0.79 BACE1 (0.43) BACE1BACE2RAB9ANPC1LMNA

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-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-8933221-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-01-13 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 3093/4885BACE2 2953/4885GRM5 1554/4885
US-20150087637-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR BACE1 3093/4885BACE2 2953/4885GRM5 1554/4885

“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.