SCHEMBL14947167

SCHEMBL14947167

NCCNC(=O)Cn1c(-c2ccc(F)cc2OCCO)cc(=O)[nH]c1=S

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.64
▸ GRIN1 Q05586 8/20 0.44
▸ GRIN2B Q13224 8/20 0.44
▸ TPO P07202 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ PLK1 P53350 2/20 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
SCHEMBL14947162 0.93 MPO (0.59) MPOGRIN1GRIN2BTPOALDH1A1
SCHEMBL14947172 0.90 MPO (0.64) MPOGRIN1GRIN2BTPOALDH1A1
SCHEMBL14936305 0.88 MPO (0.83) MPOGRIN1GRIN2BTPOALDH1A1
SCHEMBL14947166 0.86 MPO (0.59) MPOGRIN1GRIN2BTPOKMT2A
SCHEMBL14947170 0.84 MPO (0.59) MPOGRIN1GRIN2BTPOALDH1A1
SCHEMBL14936571 0.83 MPO (0.72) MPOGRIN1GRIN2BTPOALDH1A1
SCHEMBL14937283 0.82 MPO (0.75) MPOGRIN1GRIN2BTPOALDH1A1
SCHEMBL14936596 0.82 MPO (0.60) MPOGRIN1GRIN2BTPOKMT2A
SCHEMBL14937191 0.79 MPO (0.79) MPOGRIN1GRIN2BTPOALDH1A1
SCHEMBL14947165 0.78 MPO (0.59) MPOGRIN1GRIN2BTPO

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 1/4885GRIN1 2771/4885GRIN2B 2788/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885GRIN1 2771/4885GRIN2B 2788/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885GRIN1 2771/4885GRIN2B 2788/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885GRIN1 2771/4885GRIN2B 2788/4885

“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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