SCHEMBL17694536

SCHEMBL17694536

CNS(=O)(=O)c1ccccc1-n1c(COC(=O)CCCOC(=O)CCC/C=C\C[C@@H]2[C@@H](/C=C/[C@@H](O)COc3cccc(C(F)(F)F)c3)[C@H](O)C[C@@H]2O)nc2cc(C)c(C(=O)OCO/N=[N+](\[O-])N3CCCC3)c(C)c2c1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 14/20 0.45
▸ ABCC4 O15439 2/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ PTGER3 P43115 4/20 0.43
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ TBXA2R P21731 4/20 0.35
▸ PTGER1 P34995 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ PTGER2 P43116 1/20 0.35

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
SCHEMBL18673304 0.96 PTGFR (0.44) PTGFRABCC4ABCB11PTGER3CNR1
SCHEMBL17686186 0.79 PTGFR (0.68) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL17686189 0.79 PTGFR (0.68) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL17686184 0.79 PTGFR (0.68) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL17696812 0.78 CNR1 (0.49) PTGFRABCC4ABCB11PTGER3CNR1
SCHEMBL17696713 0.74 PTGFR (0.69) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL18673303 0.72 CNR1 (0.74) CNR1CNR2
SCHEMBL12119609 0.69 PTGFR (0.73) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL12119720 0.69 PTGFR (0.73) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL13008203 0.69 PTGFR (0.81) PTGFRABCC4ABCB11PTGER3TBXA2R

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-9604949-B2 Prostaglandin conjugates and derivatives for treating glaucoma and ocular hypertension NOVARTIS AG (CH) 2017-03-28 — — US disclosed
US-20160108012-A1 PROSTAGLANDIN CONJUGATES AND DERIVATIVES FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION NOVARTIS AG (CH) 2016-04-21 — — 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-20160108012-A1 PROSTAGLANDIN CONJUGATES AND DERIVATIVES FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION PTGIR, PTGIS, PTGS1 PTGFR 5/4885ABCC4 1489/4885ABCB11 386/4885

“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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