SCHEMBL14937236

SCHEMBL14937236

COCCn1c(-c2cccc(Cl)c2)cc(=O)[nH]c1=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 4/20 0.44
CASP1 P29466 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 1/20 0.44
MPO P05164 4/20 0.44
TPO P07202 1/20 0.44
RAB9A P51151 2/20 0.43
PKM P14618 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 2/20 0.41
CASP7 P55210 1/20 0.41
APOBEC3G Q9HC16 1/20 0.40
PGR P06401 2/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 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
SCHEMBL14937026 0.87 MPO (0.44) ALDH1A1HSD17B10CASP1CYP1A2MPO
SCHEMBL14937048 0.86 MPO (0.47) ALDH1A1HSD17B10CASP1CYP1A2CYP3A4
SCHEMBL14936973 0.86 MPO (0.44) ALDH1A1HSD17B10CASP1CYP1A2MPO
SCHEMBL14936875 0.86 ALDH1A1 (0.44) ALDH1A1HSD17B10CASP1CYP1A2CYP3A4
SCHEMBL14936734 0.86 MPO (0.53) ALDH1A1HSD17B10CASP1MPORAB9A
SCHEMBL14936303 0.84 ALDH1A1 (0.47) ALDH1A1HSD17B10CASP1CYP1A2CYP3A4
SCHEMBL14936715 0.84 MPO (0.42) ALDH1A1HSD17B10CASP1CYP1A2MPO
SCHEMBL14936395 0.81 TRPC5 (0.45) ALDH1A1HSD17B10CASP1MPORAB9A
SCHEMBL14936797 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10CASP1MPORAB9A
SCHEMBL14936969 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10CASP1CYP1A2MPO

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 22 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-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-20140288049-A1 2-Thiopyrimidinones PFIZER (US) 2014-09-25 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 280/4885HSD17B10 430/4885CASP1 361/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ALDH1A1 280/4885HSD17B10 430/4885CASP1 361/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ALDH1A1 280/4885HSD17B10 430/4885CASP1 361/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ALDH1A1 280/4885HSD17B10 430/4885CASP1 361/4885

“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.