SCHEMBL18680966

SCHEMBL18680966

C=CCC(O)(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 2/20 0.47
CA1 P00915 4/20 0.40
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
HTT P42858 1/20 0.37
TEAD3 Q99594 1/20 0.36
IDO1 P14902 1/20 0.35
ALOX15 P16050 1/20 0.35
AGXT P21549 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
CYP2C19 P33261 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
SCHEMBL8592890 0.92 KDM4E (0.53) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL18663141 0.91 KDM4E (0.42) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL8696311 0.89 KDM4E (0.46) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL21363140 0.85 TDP1 (0.41) POLBTSHRALDH1A1TDP1ALOX15
SCHEMBL8591330 0.81 KMT2A (0.41) KDM4EPOLBTSHRALDH1A1MAPT
SCHEMBL10655006 0.79 TSHR (0.47) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL10507002 0.79 POLB (0.51) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL7147956 0.78 KDM4E (0.65) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL8590273 0.78 KDM4E (0.51) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL8591924 0.77 TSHR (0.44) KDM4EPOLBTSHRCA1ALDH1A1

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 3 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-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
WO-2017051276-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 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-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 KDM4E 2961/4885POLB 3363/4885TSHR 149/4885

“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.