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SCHEMBL14936775

SCHEMBL14936775

COc1ccc(-c2cc(=O)[nH]c(=S)n2CCOCCC(=O)ONC(=N)N)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.62
▸ TPO P07202 1/20 0.46
▸ GAA P10253 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33

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
SCHEMBL14947030 0.87 MPO (0.65) MPOTPOGAAMAPK1ALDH1A1
Formic Acid SCHEMBL14936772 0.84 MPO (0.61) MPOTPOGAAMAPK1ALDH1A1
SCHEMBL14936751 0.83 MPO (0.68) MPOTPOGAAMAPK1ALDH1A1
Guanidine SCHEMBL14936769 0.83 MPO (0.64) MPOTPOGAAMAPK1ALDH1A1
SCHEMBL14947093 0.83 MPO (0.82) MPOTPOGAAMAPK1ALDH1A1
SCHEMBL14947057 0.83 MPO (0.75) MPOTPOGAAMAPK1ALDH1A1
SCHEMBL14936753 0.82 MPO (0.82) MPOTPOGAAMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL14936220 0.82 MPO (0.80) MPOTPOGAAMAPK1ALDH1A1
SCHEMBL14936583 0.81 MPO (0.72) MPOTPOGAAMAPK1ALDH1A1
SCHEMBL14947081 0.80 MPO (0.74) MPOTPOGAAMAPK1ALDH1A1

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 8 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
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

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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