SCHEMBL14937124

SCHEMBL14937124

COc1cc(OC)c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 9/20 0.76
▸ TPO P07202 1/20 0.74
▸ GAA P10253 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ TNFSF11 O14788 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ RXFP1 Q9HBX9 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
SCHEMBL14936519 0.92 MPO (0.71) MPOTPOGAAMAPK1GRIN1
SCHEMBL14936490 0.92 MPO (0.71) MPOTPOGAAMAPK1GRIN1
SCHEMBL14936608 0.91 MPO (0.70) MPOTPOGAAMAPK1GRIN1
SCHEMBL14936581 0.91 MPO (0.75) MPOTPOGAAMAPK1GRIN1
SCHEMBL14936384 0.88 MPO (0.75) MPOTPOGAAMAPK1GRIN1
SCHEMBL14937052 0.86 MPO (1.00) MPOTPOGAAMAPK1GRIN1
SCHEMBL29616404 0.86 MPO (1.00) MPOTPOGAAMAPK1GRIN1
SCHEMBL14937077 0.86 MPO (0.80) MPOTPOGAAMAPK1GRIN1
SCHEMBL14936647 0.86 MPO (1.00) MPOTPOGAAMAPK1GRIN1
SCHEMBL14936736 0.86 MPO (0.80) MPOTPOGAAMAPK1GRIN1

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 16 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-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-20140288049-A1 2-Thiopyrimidinones PFIZER (US) 2014-09-25 — — 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
US-8841314-B2 2-Thiopyrimidinones PFIZER INC. (US) 2014-09-23 — — 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-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 MPO 1/4885TPO 32/4885GAA 162/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885GAA 162/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885GAA 162/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885GAA 162/4885

“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.

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