SCHEMBL14950410

SCHEMBL14950410

CCOC(=O)Cn1c(-c2cc(OC)c(OC)cc2OC)cc(=O)[nH]c1=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.56
▸ TPO P07202 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NR2E3 Q9Y5X4 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36

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
SCHEMBL14937120 0.87 MPO (0.76) MPOTPOALDH1A1NPSR1SMN1; SMN2
SCHEMBL14937124 0.85 MPO (0.76) MPOTPOALDH1A1RXFP1MAPK1
SCHEMBL14936165 0.80 MPO (0.74) MPOTPOALDH1A1RXFP1MAPK1
SCHEMBL14936490 0.80 MPO (0.71) MPOTPOALDH1A1MAPK1GAA
SCHEMBL14936519 0.80 MPO (0.71) MPOTPOALDH1A1MAPK1GAA
SCHEMBL14936480 0.77 MPO (0.74) MPOTPOALDH1A1RXFP1MAPK1
SCHEMBL14936338 0.77 MPO (0.72) MPOTPOALDH1A1SMN1; SMN2MAPK1
SCHEMBL14936608 0.76 MPO (0.70) MPOTPOALDH1A1RXFP1MAPK1
SCHEMBL14947027 0.76 MPO (0.54) MPOTPOALDH1A1NPSR1MAPK1
SCHEMBL14936581 0.76 MPO (0.75) MPOTPOALDH1A1NPSR1MAPK1

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 32/4885ALDH1A1 280/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885ALDH1A1 280/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885ALDH1A1 280/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885ALDH1A1 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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