SCHEMBL15839804

SCHEMBL15839804

O=C(NC(=S)N[C@@]1(c2ccc(F)cc2F)CO[C@@H](C2CC2)C[C@H]1CO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 3/20 0.37
ALOX12 P18054 2/20 0.37
MEN1 O00255 2/20 0.37
RECQL P46063 1/20 0.37
BACE1 P56817 5/20 0.36
GLA P06280 1/20 0.36
BACE2 Q9Y5Z0 3/20 0.36
CTSD P07339 1/20 0.36
CYP2D6 P10635 1/20 0.36
ATM Q13315 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL15839953 0.90 ALDH1A1 (0.42) EPHX1ALDH1A1LMNAMAPTKMT2A
SCHEMBL15839941 0.90 EPHX1 (0.38) EPHX1ALDH1A1LMNAMAPTKMT2A
SCHEMBL15839806 0.87 EPHX1 (0.39) EPHX1ALDH1A1LMNAMAPTKMT2A
SCHEMBL15769169 0.87 BACE1 (0.40) EPHX1ALDH1A1LMNAMAPTKMT2A
SCHEMBL15839813 0.86 EPHX1 (0.39) EPHX1ALDH1A1LMNAMAPTKMT2A
SCHEMBL15839980 0.85 EPHX1 (0.37) EPHX1ALDH1A1LMNAMAPTKMT2A
SCHEMBL15839986 0.85 EPHX1 (0.38) EPHX1ALDH1A1LMNAMAPTKMT2A
SCHEMBL15366841 0.83 BACE1 (0.46) EPHX1ALDH1A1LMNAMAPTKMT2A
SCHEMBL15839958 0.83 BACE1 (0.38) EPHX1ALDH1A1LMNAMAPTKMT2A
SCHEMBL15939223 0.81 BACE1 (0.42) EPHX1ALDH1A1LMNAMAPTKMT2A

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-9403846-B2 Carbocyclic- and heterocyclic-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2016-08-02 US disclosed
US-9403846-B2 Carbocyclic- and heterocyclic-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2016-08-02 US disclosed
US-9403846-B2 Carbocyclic- and heterocyclic-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2016-08-02 US disclosed
US-20160002264-A1 Carbocyclic- And Heterocyclic-Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2016-01-07 US disclosed
US-20160002264-A1 Carbocyclic- And Heterocyclic-Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2016-01-07 US disclosed
US-20160002264-A1 Carbocyclic- And Heterocyclic-Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2016-01-07 US disclosed
WO-2014097038-A1 CARBOCYCLIC- AND HETEROCYCLIC-SUBSTITUTED HEXAHYDROPYRANO[3,4-d][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER INC. (US) 2014-06-26 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-20160002264-A1 Carbocyclic- And Heterocyclic-Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds CYP4B1, HTR3C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EPHX1 1508/4885ALDH1A1 279/4885LMNA 3695/4885

“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.