SCHEMBL14936569

SCHEMBL14936569

COc1ccc(-c2cc(=O)[nH]c(=S)n2CC(=O)NCCNC(=O)O)c(OC)c1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 8/20 0.82
▸ TPO P07202 1/20 0.48
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL14936268 0.92 MPO (0.82) MPOTPOGRIN1GRIN2BTP53
SCHEMBL14936381 0.91 MPO (0.84) MPOTPOGRIN1GRIN2BTP53
SCHEMBL14936710 0.91 MPO (0.84) MPOTPOGRIN1GRIN2BTP53
SCHEMBL14936337 0.90 MPO (0.82) MPOTPOGRIN1GRIN2BTP53
SCHEMBL14936606 0.90 MPO (1.00) MPOTPOGRIN1GRIN2BTP53
Hydrochloric Acid SCHEMBL14936473 0.90 MPO (0.98) MPOTPOGRIN1GRIN2BTP53
SCHEMBL14936413 0.90 MPO (0.91) MPOTPOGRIN1GRIN2BTP53
SCHEMBL14936766 0.89 MPO (0.80) MPOTPOGRIN1GRIN2BKDM4E
SCHEMBL14936711 0.89 MPO (0.80) MPOTPOGRIN1GRIN2BTP53
SCHEMBL14947161 0.88 MPO (0.79) MPOTPOGRIN1GRIN2BTP53

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 10 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
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
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

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 32/4885GRIN1 2771/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885GRIN1 2771/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885GRIN1 2771/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885GRIN1 2771/4885

“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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