SCHEMBL17694543

SCHEMBL17694543

CNS(=O)(=O)c1ccccc1-n1c(COC(=O)CCCO)nc2cc(C)c(C(=O)OCO/N=[N+](\[O-])N3CCCC3)c(C)c2c1=O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.60
▸ CNR2 P34972 1/20 0.60
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL18673303 0.90 CNR1 (0.74) CNR1CNR2MEN1KMT2A
SCHEMBL17694535 0.86 CNR1 (0.79) CNR1CNR2MEN1KMT2A
SCHEMBL17694537 0.83 CNR1 (0.67) CNR1CNR2
SCHEMBL17694536 0.77 PTGFR (0.45) CNR1CNR2
Sad448 SCHEMBL844484 0.75 CNR1 (1.00) CNR1CNR2MEN1KMT2A
SCHEMBL844571 0.75 CNR1 (0.79) CNR1CNR2MEN1KMT2A
SCHEMBL18673304 0.75 PTGFR (0.44) CNR1CNR2
SCHEMBL844174 0.74 CNR1 (0.87) CNR1CNR2MEN1KMT2A
Hydrochloric Acid SCHEMBL844735 0.73 CNR1 (0.86) CNR1CNR2MEN1KMT2A
SCHEMBL844333 0.73 CNR1 (0.90) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239268-A1 PROSTAGLANDIN CONJUGATES AND DERIVATIVES FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION ALCON INC. (CH) 2017-08-24 — — US disclosed
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 (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-20160108012-A1 PROSTAGLANDIN CONJUGATES AND DERIVATIVES FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION PTGIR, PTGIS, PTGS1 CNR1 952/4885CNR2 462/4885MEN1 3189/4885
US-20170239268-A1 PROSTAGLANDIN CONJUGATES AND DERIVATIVES FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION PTGIR, PTGIS, PTGS1 CNR1 952/4885CNR2 462/4885MEN1 3189/4885

“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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