SCHEMBL14936734

SCHEMBL14936734

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.53
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
RAB9A P51151 1/20 0.43
PKM P14618 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 3/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GFER P55789 1/20 0.41
USP2 O75604 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
BRD4 O60885 1/20 0.40
TYMP P19971 1/20 0.40
PLAT P00750 1/20 0.39
MEN1 O00255 1/20 0.39
PRNP P04156 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
SCHEMBL14947089 0.88 MPO (0.67) MPOALDH1A1GAAMTNR1AMTNR1B
SCHEMBL14937144 0.88 MPO (0.67) MPOPKMGAAMTNR1AMTNR1B
SCHEMBL14936395 0.88 TRPC5 (0.45) MPOALDH1A1HSD17B10RAB9APKM
SCHEMBL14936966 0.88 MPO (0.52) MPOALDH1A1HSD17B10RAB9APKM
Hydrochloric Acid SCHEMBL14936202 0.87 MPO (0.65) MPOALDH1A1GAAMTNR1AMTNR1B
SCHEMBL14937026 0.87 MPO (0.44) MPOALDH1A1HSD17B10RAB9APKM
SCHEMBL14936894 0.86 MPO (0.56) MPOALDH1A1HSD17B10RAB9APKM
SCHEMBL14947090 0.86 MPO (0.58) MPOGAAMTNR1AMTNR1BKDM4E
SCHEMBL14937236 0.86 ALDH1A1 (0.44) MPOALDH1A1HSD17B10RAB9APKM
SCHEMBL14936973 0.86 MPO (0.44) MPOALDH1A1HSD17B10RAB9APKM

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.