SCHEMBL14935992

SCHEMBL14935992

COCCn1c(-c2ccc(C(=O)N(C)C)cc2)cc(=O)[nH]c1=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
PKM P14618 2/20 0.43
USP2 O75604 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
MPO P05164 6/20 0.42
PTGER4 P35408 1/20 0.40
CECR2 Q9BXF3 1/20 0.39
HTT P42858 2/20 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
SCHEMBL14936834 0.83 MPO (0.46) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL14936914 0.82 MPO (0.47) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL14937048 0.81 MPO (0.47) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL14936894 0.81 MPO (0.56) ALDH1A1SMN1; SMN2HPGDRXFP1HSD17B10
SCHEMBL14936709 0.81 MPO (0.46) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL14936716 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL14936592 0.79 MPO (0.44) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL14938347 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL14937079 0.78 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL14936027 0.77 MPO (0.55) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1

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 280/4885SMN1; SMN2 3791/4885HPGD 146/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ALDH1A1 280/4885SMN1; SMN2 3791/4885HPGD 146/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ALDH1A1 280/4885SMN1; SMN2 3791/4885HPGD 146/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ALDH1A1 280/4885SMN1; SMN2 3791/4885HPGD 146/4885

“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.