SCHEMBL13327763

SCHEMBL13327763

O=C(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O)NCC(=O)OCc1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 14/20 0.66
▸ PTGER3 P43115 4/20 0.66
▸ ABCC4 O15439 2/20 0.66
▸ ABCB11 O95342 2/20 0.66
▸ TBXA2R P21731 4/20 0.52
▸ PTGER1 P34995 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ PTGER2 P43116 1/20 0.52
▸ AKR1C3 P42330 1/20 0.45
▸ CA2 P00918 1/20 0.42

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
SCHEMBL13327764 0.97 PTGFR (0.66) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL13327739 0.94 PTGFR (0.66) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL12119613 0.94 PTGFR (0.73) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL13327765 0.93 PTGFR (0.66) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL13327762 0.93 PTGFR (0.69) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL13327748 0.92 PTGFR (0.66) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL13327998 0.92 PTGFR (0.69) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL13327767 0.92 PTGFR (0.68) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL13327958 0.91 PTGFR (0.68) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL13327804 0.91 ABCC4 (0.65) PTGFRPTGER3ABCC4ABCB11TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718656-B2 Prostaglandin derivatives NICOX S.A. (FR) 2010-05-18 — — US disclosed
US-20090062296-A1 Prostaglandin derivatives AGOURON PHARMACEUTICALS, INC. 2009-03-05 — — 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 (1 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-20090062296-A1 Prostaglandin derivatives PTGIS, PTGIR, PTGS1 PTGFR 16/4885PTGER3 15/4885ABCC4 1836/4885

“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.

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