SCHEMBL14936701

SCHEMBL14936701

CCOC(=O)/C=C(\OCC)c1ccc(OC)nc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
NNMT P40261 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
FDPS P14324 1/20 0.34
CDC7 O00311 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
SCHEMBL14936702 1.00 POLB (0.54) POLBTDP1RAB9ANPC1NNMT
SCHEMBL14936675 0.89 POLB (0.57) POLBTDP1RAB9ANPC1NNMT
SCHEMBL14936673 0.89 POLB (0.57) POLBTDP1RAB9ANPC1NNMT
SCHEMBL14936704 0.85 POLB (0.52) POLBTDP1RAB9ANPC1NNMT
SCHEMBL6409775 0.80 POLB (0.63) POLBTDP1RAB9ANPC1NNMT
SCHEMBL14950393 0.79 POLB (0.46) POLBTDP1RAB9ANPC1NNMT
SCHEMBL14936452 0.75 POLB (0.56) POLBTDP1RAB9ANPC1NNMT
SCHEMBL19788131 0.74 POLB (0.54) POLBTDP1RAB9ANPC1NNMT
SCHEMBL1500363 0.73 POLB (0.67) POLBTDP1RAB9ANPC1NNMT
SCHEMBL14936677 0.72 POLB (0.60) POLBTDP1RAB9ANPC1NNMT

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 11 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-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-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
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

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 POLB 867/4885TDP1 431/4885RAB9A 3162/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 POLB 867/4885TDP1 431/4885RAB9A 3162/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 POLB 867/4885TDP1 431/4885RAB9A 3162/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 POLB 867/4885TDP1 431/4885RAB9A 3162/4885

“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.