SCHEMBL14936362

SCHEMBL14936362

NCCn1c(-c2cc(Cl)ccc2OCCO)cc(=O)[nH]c1=S

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.57
▸ TPO P07202 1/20 0.57
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ MAPK1 P28482 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ EIF4EBP1 Q13541 5/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ ARF6 P62330 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL14936450 0.93 MPO (0.57) MPOTPOPTGDR2MAPK1GAA
SCHEMBL18205755 0.88 MPO (0.54) MPOTPOPTGDR2MAPK1GAA
SCHEMBL15366347 0.87 MPO (0.56) MPOTPOPTGDR2MAPTEIF4EBP1
Hydrochloric Acid SCHEMBL18205711 0.87 MPO (0.53) MPOTPOPTGDR2MAPK1GAA
SCHEMBL14947171 0.87 MPO (0.76) MPOTPOPTGDR2MAPK1GAA
SCHEMBL14936386 0.86 MPO (0.54) MPOTPOPTGDR2MAPK1GAA
SCHEMBL14936679 0.86 MPO (0.57) MPOTPOMAPK1GAATP53
Hydrochloric Acid SCHEMBL14936241 0.85 MPO (0.56) MPOTPOMAPK1GAATP53
SCHEMBL14947170 0.85 MPO (0.59) MPOTPOPTGDR2MAPK1TP53
SCHEMBL14946958 0.85 MPO (0.73) MPOTPOMAPK1GAAMAPT

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 29 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-20170275257-A1 2-THIOPYRIMIDINONES PFIZER INC. (US) 2017-09-28 — — US disclosed
US-20170275257-A1 2-THIOPYRIMIDINONES PFIZER INC. (US) 2017-09-28 — — US disclosed
US-9771332-B2 2-thiopyrimidinones PFIZER INC. (US) 2017-09-26 — — US disclosed
US-9771332-B2 2-thiopyrimidinones PFIZER INC. (US) 2017-09-26 — — US disclosed
WO-2016178113-A1 2-THIOPYRIMIDINONES PFIZER INC. (US) 2016-11-10 — — WO disclosed
US-20160326121-A1 2-THIOPYRIMIDINONES PFIZER INC. 2016-11-10 — — US disclosed
US-20160326121-A1 2-THIOPYRIMIDINONES PFIZER INC. 2016-11-10 — — 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 1/4885TPO 32/4885PTGDR2 2008/4885
US-20160326121-A1 2-THIOPYRIMIDINONES MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885PTGDR2 2674/4885
US-20170275257-A1 2-THIOPYRIMIDINONES MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885PTGDR2 2674/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885PTGDR2 2008/4885

“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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