SCHEMBL8943286

SCHEMBL8943286

O=c1cc[nH]c(=O)n1C(O)=S

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
MMP2 P08253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK8 P45983 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
MAP2K1 Q02750 1/20 0.32

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
SCHEMBL28132698 0.78 MAP2K1 (0.35) ALDH1A1POLBMAPTMAPK8DYRK1A
SCHEMBL7618944 0.72
SCHEMBL7616750 0.72 CCR8 (0.31)
SCHEMBL14491 0.72 TYMP (0.49) ALDH1A1POLBMAPT
SCHEMBL7546872 0.71 ALDH1A1 (0.42) TP53MMP2ALDH1A1POLBMAPT
SCHEMBL422814 0.70
SCHEMBL1526613 0.69 ELANE (0.37) ALDH1A1POLBMAPT
SCHEMBL9443405 0.69 CRBN (0.35) TP53MMP2MAPK8DYRK1ACLK4
Benzene SCHEMBL26606838 0.67 MAPK8 (0.36) MAPTMAPK8DYRK1ACLK4DYRK1B
SCHEMBL4253406 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-103917529-B 2-Thiopyrimidinones 辉瑞大药厂 2016-08-17 CN 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-8841314-B2 2-Thiopyrimidinones PFIZER INC. (US) 2014-09-23 US disclosed
EP-2776405-A1 2-THIOPYRIMIDINONES Pfizer Inc (US) 2014-09-17 EP disclosed
US-8835449-B2 2-thiopyrimidinones PFIZER INC. (US) 2014-09-16 US disclosed
CN-103917529-A 2-thiopyrimidinones PFIZER 2014-07-09 CN disclosed
US-20130296351-A1 2-Thiopyrimidinones PFIZER INC. 2013-11-07 US 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-5547686-A INCREASING AMOUNTS OF UNSATURATED FATTY ACIDS IN TISSUES AND MILK BY FEEDING MIXTURE CONTAINING UNSATURATED FATTY AMIDE WHICH IS RESISTANT TO HYDROGENATION BY MICROORGANISMS IN RUMEN CLEMSON UNIVERSITY (US) 1996-08-20 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 TP53 3900/4885MMP2 40/4885ALDH1A1 280/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 TP53 3900/4885MMP2 40/4885ALDH1A1 280/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 TP53 3900/4885MMP2 40/4885ALDH1A1 280/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 TP53 3900/4885MMP2 40/4885ALDH1A1 280/4885

“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.