SCHEMBL14936748

SCHEMBL14936748

CCOC(=O)CC(=O)c1ccccc1OCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.52
HCRTR1 O43613 2/20 0.46
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL11339085 0.88 HCRTR1 (0.58) ABCB1HCRTR1L3MBTL1MAPTALDH1A1
SCHEMBL4431174 0.87 ABCB1 (0.51) ABCB1HCRTR1LMNAL3MBTL1MAPT
SCHEMBL29280961 0.82 TSHR (0.62) LMNAL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL30218361 0.82 NPC1 (0.62) ABCB1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL954173 0.82 NPC1 (0.62) ABCB1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL377080 0.82 ABCB1 (0.61) ABCB1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL14947113 0.82 ALDH1A1 (0.43) HCRTR1LMNAMAPTALDH1A1KDM4E
SCHEMBL14936123 0.80 ALDH1A1 (0.51) LMNAL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12634459 0.79 LMNA (0.51) ABCB1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL30717645 0.79 USP2 (0.61) ABCB1LMNAL3MBTL1MAPTALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873673-B2 2-thiopyrimidinones PFIZER INC. (US) 2018-01-23 US disclosed
US-9873673-B2 2-thiopyrimidinones PFIZER INC. (US) 2018-01-23 US disclosed
US-9873673-B2 2-thiopyrimidinones PFIZER INC. (US) 2018-01-23 US disclosed
US-20160304469-A1 2-Thiopyrimidinones PFIZER INC. (US) 2016-10-20 US disclosed
US-20160304469-A1 2-Thiopyrimidinones PFIZER INC. (US) 2016-10-20 US disclosed
US-20160304469-A1 2-Thiopyrimidinones PFIZER INC. (US) 2016-10-20 US disclosed
US-9399626-B2 2-thiopyrimidinones PFIZER INC. (US) 2016-07-26 US disclosed
US-9399626-B2 2-thiopyrimidinones PFIZER INC. (US) 2016-07-26 US disclosed
US-9399626-B2 2-thiopyrimidinones PFIZER INC. (US) 2016-07-26 US disclosed
US-20140288049-A1 2-Thiopyrimidinones PFIZER (US) 2014-09-25 US disclosed
US-8835449-B2 2-thiopyrimidinones PFIZER INC. (US) 2014-09-16 US disclosed
US-8835449-B2 2-thiopyrimidinones PFIZER INC. (US) 2014-09-16 US disclosed
US-20130296351-A1 2-Thiopyrimidinones PFIZER INC. 2013-11-07 US disclosed
US-20130296351-A1 2-Thiopyrimidinones PFIZER INC. 2013-11-07 US disclosed
US-20130296351-A1 2-Thiopyrimidinones PFIZER INC. 2013-11-07 US disclosed
WO-2013068875-A1 2-THIOPYRIMIDINONES PFIZER INC. (US) 2013-05-16 WO disclosed
US-20130123230-A1 2-Thiopyrimidinones PFIZER INC. 2013-05-16 US disclosed
WO-2013068875-A1 2-THIOPYRIMIDINONES PFIZER INC. (US) 2013-05-16 WO disclosed
US-20130123230-A1 2-Thiopyrimidinones PFIZER INC. 2013-05-16 US disclosed
US-20130123230-A1 2-Thiopyrimidinones PFIZER INC. 2013-05-16 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 (4 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-20130123230-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ABCB1 587/4885HCRTR1 4609/4885LMNA 3854/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ABCB1 587/4885HCRTR1 4609/4885LMNA 3854/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ABCB1 587/4885HCRTR1 4609/4885LMNA 3854/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ABCB1 587/4885HCRTR1 4609/4885LMNA 3854/4885

“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.