SCHEMBL14937014

SCHEMBL14937014

COCCn1c(-c2cc(OC)c(C)cc2OC)cc(=O)[nH]c1=S

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.56
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 2/20 0.49
TPO P07202 1/20 0.47
MAPK1 P28482 2/20 0.41
GAA P10253 4/20 0.41
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL14946983 0.88 MPO (0.70) MPOALDH1A1HSD17B10TPOMAPK1
SCHEMBL14936603 0.88 MPO (0.70) MPOALDH1A1HSD17B10TPOMAPK1
SCHEMBL14936378 0.87 MPO (0.55) MPOALDH1A1HSD17B10TPOMAPK1
Hydrochloric Acid SCHEMBL14936773 0.87 MPO (0.69) MPOALDH1A1HSD17B10TPOMAPK1
SCHEMBL14946998 0.86 MPO (0.61) MPOALDH1A1HSD17B10TPOMAPK1
Hydrochloric Acid SCHEMBL14937123 0.85 MPO (0.60) MPOALDH1A1HSD17B10TPOMAPK1
SCHEMBL14936727 0.85 MPO (0.55) MPOALDH1A1HSD17B10TPOMAPK1
SCHEMBL14936932 0.84 MPO (0.60) MPOALDH1A1HSD17B10TPOMAPK1
SCHEMBL14946981 0.83 MPO (0.70) MPOALDH1A1HSD17B10TPOMAPK1
SCHEMBL14936962 0.83 MPO (0.53) MPOALDH1A1HSD17B10TPOMAPK1

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 MPO 1/4885ALDH1A1 280/4885HSD17B10 430/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885ALDH1A1 280/4885HSD17B10 430/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885ALDH1A1 280/4885HSD17B10 430/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885ALDH1A1 280/4885HSD17B10 430/4885

“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.