SCHEMBL18205755

SCHEMBL18205755

Cc1ccc(OCCO)c(-c2cc(=O)[nH]c(=S)n2CCN)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.54
▸ TPO P07202 1/20 0.45
▸ MAPK1 P28482 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ HPGD P15428 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ PTPN22 Q9Y2R2 1/20 0.31

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
Hydrochloric Acid SCHEMBL18205711 0.99 MPO (0.53) MPOTPOMAPK1GAAPTGDR2
SCHEMBL14936362 0.88 MPO (0.57) MPOTPOMAPK1GAAPTGDR2
SCHEMBL18205709 0.86 MPO (0.46) MPOTPOMAPK1GAAPTGDR2
SCHEMBL14936679 0.86 MPO (0.57) MPOTPOMAPK1GAAL3MBTL1
SCHEMBL14947043 0.86 MPO (0.69) MPOTPOMAPK1GAAHPGD
Hydrochloric Acid SCHEMBL14936241 0.85 MPO (0.56) MPOTPOMAPK1GAAL3MBTL1
Hydrochloric Acid SCHEMBL14936854 0.85 MPO (0.67) MPOTPOMAPK1GAAHPGD
SCHEMBL14936729 0.82 MPO (0.45) MPOTPOMAPK1GAAHPGD
SCHEMBL18205717 0.81 MPO (0.42) MPOTPOPTGDR2ALDH1A1KDM4E
SCHEMBL14936977 0.81 MPO (0.69) MPOTPOMAPK1GAAHPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771332-B2 2-thiopyrimidinones PFIZER INC. (US) 2017-09-26 — — US claimed
US-20160326121-A1 2-THIOPYRIMIDINONES PFIZER INC. 2016-11-10 — — US claimed
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-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
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-20160326121-A1 2-THIOPYRIMIDINONES PFIZER INC. 2016-11-10 — — 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 (2 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-20160326121-A1 2-THIOPYRIMIDINONES MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885MAPK1 2615/4885
US-20170275257-A1 2-THIOPYRIMIDINONES MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885MAPK1 2615/4885

“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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