SCHEMBL14937017

SCHEMBL14937017

CCOc1ccccc1-c1cc(=O)[nH]c(=S)n1CCOC(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.65
▸ OPRM1 P35372 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PDE5A O76074 1/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ RET P07949 1/20 0.38
▸ PRKX P51817 1/20 0.38
▸ TAOK1 Q7L7X3 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PDE1A P54750 1/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL14936725 0.89 MPO (0.77) MPOOPRM1ALDH1A1MAPK1CYP1A2
SCHEMBL14935989 0.88 ALDH1A1 (0.53) MPOALDH1A1MAPK1MEN1KMT2A
SCHEMBL14937132 0.81 MPO (0.59) MPOALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL14936876 0.79 MPO (1.00) MPOOPRM1ALDH1A1MAPK1CYP1A2
SCHEMBL14935900 0.78 MPO (0.60) MPOALDH1A1MAPK1MEN1KMT2A
SCHEMBL14936929 0.77 MPO (0.60) MPOALDH1A1PDE5AMEN1KMT2A
SCHEMBL14946978 0.76 MPO (0.59) MPOALDH1A1MAPK1MEN1KMT2A
SCHEMBL14936679 0.74 MPO (0.57) MPOALDH1A1MAPK1PDE5AMEN1
SCHEMBL14946952 0.74 MPO (0.57) MPOALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL14936351 0.74 MPO (0.49) MPOMAPK1MEN1KMT2AL3MBTL1

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 24 patents — showing the first 20. 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-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-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-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-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-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
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 1/4885OPRM1 3725/4885ALDH1A1 280/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885OPRM1 3725/4885ALDH1A1 280/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885OPRM1 3725/4885ALDH1A1 280/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885OPRM1 3725/4885ALDH1A1 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.

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