SCHEMBL14716635

SCHEMBL14716635

C=CC[C@H](COCc1ccccc1)OCC=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
TSHR P16473 1/20 0.39
TACR1 P25103 3/20 0.38
HTT P42858 1/20 0.37
SLC1A1 P43005 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TEAD3 Q99594 1/20 0.34

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
SCHEMBL14739550 0.90 CA1 (0.45) TDP1CA1CA2CA7CA9
SCHEMBL2622825 0.89 TDP1 (0.44) TDP1CA1CA2CA7CA9
SCHEMBL2109601 0.89 TDP1 (0.44) TDP1CA1CA2CA7CA9
SCHEMBL2109597 0.89 TDP1 (0.44) TDP1CA1CA2CA7CA9
SCHEMBL15373100 0.86 CA1 (0.42) TDP1CA1CA2CA7CA9
SCHEMBL18747098 0.85 TSHR (0.44) TDP1CA1CA2CA7CA9
SCHEMBL15366498 0.83 HTT (0.44) TDP1CA1CA2CA7CA9
SCHEMBL15366495 0.83 HTT (0.44) TDP1CA1CA2CA7CA9
SCHEMBL24025165 0.82 CA1 (0.44) TDP1CA1CA2CA7CA9
SCHEMBL1934779 0.82 TDP1 (0.40) TDP1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3223820-B1 3-METHYL-2-IMINO-HEXAHYDRO-1H-PYRANO[3,4-D]PYRIMIDIN-4-ONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2020-07-22 EP disclosed
US-20170362248-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-20170362248-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
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
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
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 (3 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-20170362248-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, PSEN1 TDP1 408/4885CA1 160/4885CA2 2164/4885
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR TDP1 532/4885CA1 3438/4885CA2 2323/4885
US-20150087637-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR TDP1 532/4885CA1 3438/4885CA2 2323/4885

“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.