SCHEMBL18673206

SCHEMBL18673206

CCCNC(=O)OCc1nc2cc(C)c(C(=O)O)c(C)c2c(=O)n1-c1ccccc1S(=O)(=O)NC

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.78
▸ CNR2 P34972 1/20 0.78
▸ PIK3CD O00329 6/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ PDE10A Q9Y233 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ DHODH Q02127 2/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17692388 0.94 CNR1 (0.86) CNR1CNR2PIK3CDKDM4EPDE10A
SCHEMBL17692331 0.93 CNR1 (0.90) CNR1CNR2PIK3CDKDM4ECCNE1
SCHEMBL17692387 0.89 CNR1 (0.77) CNR1CNR2PIK3CD
Sad448 SCHEMBL844484 0.88 CNR1 (1.00) CNR1CNR2PIK3CDKDM4EALDH1A1
SCHEMBL844333 0.88 CNR1 (0.90) CNR1CNR2PIK3CD
SCHEMBL844174 0.87 CNR1 (0.87) CNR1CNR2PIK3CDKDM4ERAB9A
Hydrochloric Acid SCHEMBL844735 0.86 CNR1 (0.86) CNR1CNR2PIK3CDKDM4EALDH1A1
SCHEMBL17694537 0.85 CNR1 (0.67) CNR1CNR2PIK3CDKDM4EPDE10A
SCHEMBL845150 0.84 CNR1 (0.64) CNR1CNR2PIK3CDPDE10ADHODH
SCHEMBL845014 0.83 CNR1 (0.80) CNR1CNR2PIK3CDKDM4EALDH1A1

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-10016441-B2 Prostaglandin conjugates and derivatives for treating glaucoma and ocular hypertension NOVARTIS AG (CH) 2018-07-10 — — US disclosed
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

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-10016441-B2 Prostaglandin conjugates and derivatives for treating glaucoma and ocular hypertension PTGIR, PTGIS, PTGS1 CNR1 952/4885CNR2 462/4885PIK3CD 1172/4885
US-20170239268-A1 PROSTAGLANDIN CONJUGATES AND DERIVATIVES FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION PTGIR, PTGIS, PTGS1 CNR1 952/4885CNR2 462/4885PIK3CD 1172/4885

“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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