SCHEMBL14716599

SCHEMBL14716599

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.35
HTT P42858 1/20 0.33
LMNA P02545 2/20 0.32
CNR1 P21554 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
OPRL1 P41146 1/20 0.31
NPC1 O15118 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
SCHEMBL14733553 0.81 MDM4 (0.37) HDAC1HDAC2
SCHEMBL14716482 0.76 BACE1 (0.47) BACE1LMNANPC1
SCHEMBL15839804 0.74 EPHX1 (0.39) BACE1LMNAKDM4ENPC1
SCHEMBL15839953 0.73 ALDH1A1 (0.42) BACE1LMNANPC1
SCHEMBL15839806 0.73 EPHX1 (0.39) BACE1LMNAKDM4ENPC1
SCHEMBL7918847 0.71 KMT2A (0.36)
SCHEMBL14733552 0.71 BACE1 (0.45) BACE1CNR1HDAC1HDAC2
SCHEMBL15839986 0.71 EPHX1 (0.38) BACE1LMNAKDM4ENPC1
SCHEMBL15839941 0.71 EPHX1 (0.38) BACE1LMNAKDM4ENPC1
SCHEMBL16664351 0.71 EPHX1 (0.42) LMNANPC1

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 7 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
EP-2751116-A1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS Pfizer Inc (US) 2014-07-09 EP 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

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 3093/4885HTT 439/4885LMNA 3515/4885
US-20150087637-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR BACE1 3093/4885HTT 439/4885LMNA 3515/4885

“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.