SCHEMBL12119648

SCHEMBL12119648

O=C(CCCCO[N+](=O)[O-])OCCc1ccc(OC(=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)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 15/20 0.64
▸ ABCC4 O15439 2/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ PTGER3 P43115 5/20 0.64
▸ TBXA2R P21731 3/20 0.51
▸ PTGER1 P34995 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ PTGER2 P43116 1/20 0.51
▸ PTGS1 P23219 1/20 0.49

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
SCHEMBL13327782 0.93 PTGFR (0.60) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL12119609 0.92 PTGFR (0.73) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL13327789 0.92 PTGFR (0.63) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL12119709 0.91 PTGFR (0.72) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL21546227 0.91 PTGFR (0.74) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL12119717 0.91 PTGFR (0.74) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL12119614 0.91 ABCC4 (0.63) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL13949002 0.91 PTGFR (0.69) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL12119720 0.91 PTGFR (0.73) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL12122556 0.91 PTGFR (0.66) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3643702-A1 PROSTAGLANDIN DERIVATIVES Nicox S.A. (FR) 2020-04-29 — — EP disclosed
US-8058467-B2 Prostaglandin derivatives NICOX S.A. (FR) 2011-11-15 — — US disclosed
US-20110136904-A1 PROSTAGLANDIN DERIVATIVES NICOX S.A. (FR) 2011-06-09 — — US disclosed
US-7910767-B2 Prostaglandin derivatives NICOX S.A. (FR) 2011-03-22 — — US disclosed
US-20100130507-A1 PROSTAGLANDIN DERIVATIVES NICOX S.A. (FR) 2010-05-27 — — US disclosed
US-7629345-B2 Prostaglandin derivatives NICOX S.A. (FR) 2009-12-08 — — US disclosed
US-20090030076-A1 PROSTAGLANDIN DERIVATIVES NICOX S.A. 2009-01-29 — — US disclosed
US-7449469-B2 Prostaglandin derivatives NICOX S.A. (FR) 2008-11-11 — — US disclosed
US-7273946-B2 Nitroxy derivatives, e.g., 4-(nitrooxy)butyl [1R-[1 alpha (Z),2 alpha (R*),3 alpha ,5 alpha ]]-7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]-5-heptenoate; used for the treatment of glaucoma and ocular hypertension NICOX S.A. (FR) 2007-09-25 — — 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 (3 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-20110136904-A1 PROSTAGLANDIN DERIVATIVES PTGIS, PTGIR, PTGS1 PTGFR 16/4885ABCC4 2025/4885ABCB11 1485/4885
US-20100130507-A1 PROSTAGLANDIN DERIVATIVES PTGIS, PTGIR, PTGS1 PTGFR 16/4885ABCC4 2025/4885ABCB11 1485/4885
US-20090030076-A1 PROSTAGLANDIN DERIVATIVES PTGIS, PTGIR, PTGS1 PTGFR 16/4885ABCC4 2025/4885ABCB11 1485/4885

“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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