SCHEMBL17898548

SCHEMBL17898548

CC(=O)OC(COP(=O)(O)O)CC(F)F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGD P52209 5/20 0.54
LPAR3 Q9UBY5 5/20 0.39
ENPP2 Q13822 5/20 0.39
LPAR1 Q92633 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PGK1 P00558 1/20 0.39
PGK2 P07205 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
SCHEMBL17898597 0.88 PGD (0.42) PGDLPAR3ENPP2LPAR1SMN1; SMN2
SCHEMBL14513716 0.84 PGD (0.58) PGDLPAR3ENPP2LPAR1SMN1; SMN2
SCHEMBL14513725 0.84 PGD (0.58) PGDLPAR3ENPP2LPAR1SMN1; SMN2
SCHEMBL26207056 0.80 PGD (0.58) PGDLPAR3ENPP2LPAR1SMN1; SMN2
SCHEMBL7328567 0.80 PGD (0.58) PGDLPAR3ENPP2LPAR1SMN1; SMN2
SCHEMBL4572660 0.79 PGD (0.56) PGDLPAR3ENPP2LPAR1SMN1; SMN2
SCHEMBL5959432 0.79 PGD (0.56) PGDLPAR3ENPP2LPAR1SMN1; SMN2
SCHEMBL17898551 0.75 PGD (0.59) PGDLPAR3ENPP2LPAR1SMN1; SMN2
SCHEMBL14513718 0.75 PGD (0.59) PGDLPAR3ENPP2LPAR1SMN1; SMN2
SCHEMBL16688117 0.72 PGD (0.51) PGDLPAR3ENPP2LPAR1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 US disclosed
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 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 (2 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-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A PGD 4383/4885LPAR3 1218/4885ENPP2 2279/4885
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A PGD 4383/4885LPAR3 1218/4885ENPP2 2279/4885

“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.