SCHEMBL1105211

SCHEMBL1105211

CCO[C@H](CC)COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
TACR1 P25103 4/20 0.45
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
SLC1A1 P43005 1/20 0.40

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
SCHEMBL18658511 1.00 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL17770696 0.91 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL1105206 0.86 CA1 (0.47) TSHRCA1CA2CA7CA9
SCHEMBL5831617 0.86 CA1 (0.47) TSHRCA1CA2CA7CA9
SCHEMBL18538816 0.86 CA1 (0.47) TSHRCA1CA2CA7CA9
SCHEMBL18651722 0.84 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL24025165 0.82 CA1 (0.44) TSHRCA1CA2CA7CA9
SCHEMBL1087301 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL17680421 0.81 TACR1 (0.47) TSHRCA1CA2CA7CA9
SCHEMBL9575553 0.81 TSHR (0.47) TSHRCA1CA2CA7CA9

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-20170305931-A1 N-[2-(2-AMINO-6,6-DISUBSTITUTED-4,4a,5,6-TETRAHYDROPYRANO[3,4-d][1,3]THIAZIN-8a(8H)-YL)-1,3-THIAZOL-4-YL] AMIDES PFIZER INC. (US) 2017-10-26 US disclosed
US-9751895-B2 N-[2-(2-amino-6,6-disubstituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl)-1,3-thiazol-4-yl]amides PFIZER INC. (US) 2017-09-05 US disclosed
US-20170088558-A1 N-[2-(2-Amino-6,6-Disubstituted-4,4a,5,6-Tetrahydropyrano[3,4-d][1,3]Thiazin-8a(8H)-YL)-1,3-Thiazol-4-YL]Amides PFIZER INC. (US) 2017-03-30 US disclosed
US-8153787-B2 Azacytosine derivatives useful as antiviral agents K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2012-04-10 US disclosed
US-20090005346-A1 Azacytosine Derivatives Useful as Antiviral Agents K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2009-01-01 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-20170305931-A1 N-[2-(2-AMINO-6,6-DISUBSTITUTED-4,4a,5,6-TETRAHYDROPYRANO[3,4-d][1,3]THIAZIN-8a(8H)-YL)-1,3-THIAZOL-4-YL] AMIDES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A8, TBXA2R TSHR 149/4885CA1 2438/4885CA2 1694/4885
US-20090005346-A1 Azacytosine Derivatives Useful as Antiviral Agents ITPA, ZC3HAV1, MTAP TSHR 4696/4885CA1 4305/4885CA2 2734/4885
US-20170088558-A1 N-[2-(2-Amino-6,6-Disubstituted-4,4a,5,6-Tetrahydropyrano[3,4-d][1,3]Thiazin-8a(8H)-YL)-1,3-Thiazol-4-YL]Amides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A8, TBXA2R TSHR 149/4885CA1 2438/4885CA2 1694/4885

“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.