SCHEMBL14935989

SCHEMBL14935989

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ MPO P05164 7/20 0.52
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.44
▸ PKM P14618 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ TPO P07202 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PAK4 O96013 1/20 0.39
▸ RET P07949 1/20 0.39
▸ PRKX P51817 1/20 0.39
▸ TAOK1 Q7L7X3 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL14935900 0.90 MPO (0.60) ALDH1A1MAPK1MPORAB9APKM
SCHEMBL14937017 0.88 MPO (0.65) ALDH1A1MAPK1MPOHTTHSD17B10
SCHEMBL14937132 0.85 MPO (0.59) ALDH1A1MAPK1MPORAB9APKM
SCHEMBL14936077 0.84 MPO (0.50) ALDH1A1MAPK1MPORAB9APKM
SCHEMBL14937171 0.83 MPO (0.50) ALDH1A1MAPK1MPORAB9APKM
SCHEMBL14936199 0.82 ALDH1A1 (0.55) ALDH1A1MAPK1MPORAB9APKM
SCHEMBL14937074 0.82 MPO (0.50) ALDH1A1MAPK1MPOHTTRAB9A
SCHEMBL14936168 0.82 MPO (0.49) ALDH1A1MAPK1MPORAB9APKM
SCHEMBL14936350 0.82 GAA (0.54) ALDH1A1MAPK1MPORAB9APKM
SCHEMBL14936385 0.81 MPO (0.47) ALDH1A1MAPK1MPORAB9APKM

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 ALDH1A1 280/4885MAPK1 2790/4885MPO 1/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ALDH1A1 280/4885MAPK1 2790/4885MPO 1/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ALDH1A1 280/4885MAPK1 2790/4885MPO 1/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ALDH1A1 280/4885MAPK1 2790/4885MPO 1/4885

“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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