SCHEMBL6150841

SCHEMBL6150841

O=C(O)OCCCCCCO[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA4 P22748 5/20 0.46
CA9 Q16790 5/20 0.46
PTGS2 P35354 1/20 0.43
ESR2 Q92731 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
ESR1 P03372 1/20 0.33

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
SCHEMBL6152187 1.00 CA12 (0.46) CA12CA1CA2CA4CA9
SCHEMBL10104116 0.98 CA12 (0.47) CA12CA1CA2CA4CA9
SCHEMBL16914736 0.94 CA12 (0.44) CA12CA1CA2CA4CA9
SCHEMBL6152189 0.85 CA12 (0.47) CA12CA1CA2CA4CA9
SCHEMBL17768307 0.85 CA12 (0.47) CA12CA1CA2CA4CA9
SCHEMBL18242953 0.85 PTGS2 (0.40) CA12CA1CA2CA4CA9
SCHEMBL16914691 0.83 CA12 (0.49) CA12CA1CA2CA4CA9
SCHEMBL25180691 0.82 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL1842696 0.82 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL25180667 0.82 CA12 (0.50) CA12CA1CA2CA4CA9

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-20230414621-A1 NO-PDE5 INHIBITOR FOR USE IN TREATING DRY AGE-RELATED MACULAR DEGENERATION, GEOGRAPHIC ATROPHY AND GLAUCOMA-ASSOCIATED NEURODEGENERATION NICOX S.A. (FR) 2023-12-28 US disclosed
EP-3220905-A1 COMBINATIONS OF PROSTAGLANDINS AND NITRIC OXIDE DONORS Nicox S.A. (FR) 2017-09-27 EP disclosed
CN-106999452-A Combination of prostanoids and nitric oxide donor 尼科斯股份有限公司 2017-08-01 CN disclosed
WO-2016079142-A1 COMBINATIONS OF PROSTAGLANDINS AND NITRIC OXIDE DONORS NICOX S.A. (FR) 2016-05-26 WO disclosed
EP-1527045-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-05-04 EP disclosed
WO-2004011421-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-02-05 WO 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-20230414621-A1 NO-PDE5 INHIBITOR FOR USE IN TREATING DRY AGE-RELATED MACULAR DEGENERATION, GEOGRAPHIC ATROPHY AND GLAUCOMA-ASSOCIATED NEURODEGENERATION PDE5A, PDE2A, PDE3A CA12 3806/4885CA1 2685/4885CA2 371/4885

“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.