SCHEMBL17694535

SCHEMBL17694535

CCOC(=O)c1c(C)cc2nc(COC(=O)CCCO)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.79
▸ CNR2 P34972 1/20 0.79
▸ THRB P10828 2/20 0.33
▸ KDM4E B2RXH2 5/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ HPGD P15428 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL17694537 0.92 CNR1 (0.67) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL844571 0.88 CNR1 (0.79) CNR1CNR2THRBKDM4EADORA1
Sad448 SCHEMBL844484 0.88 CNR1 (1.00) CNR1CNR2THRBKDM4EADORA1
SCHEMBL844174 0.87 CNR1 (0.87) CNR1CNR2THRBKDM4EADORA1
Hydrochloric Acid SCHEMBL844735 0.86 CNR1 (0.86) CNR1CNR2THRBKDM4EADORA1
SCHEMBL17694543 0.86 CNR1 (0.60) CNR1CNR2KMT2AMEN1
SCHEMBL844485 0.86 CNR1 (0.75) CNR1CNR2THRBKDM4EADORA1
SCHEMBL17692331 0.86 CNR1 (0.90) CNR1CNR2THRBKDM4EADORA1
SCHEMBL844516 0.85 CNR1 (0.75) CNR1CNR2THRBKDM4ETSHR
SCHEMBL844904 0.84 CNR1 (0.72) CNR1CNR2THRBKDM4EADORA1

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 4 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
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 (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-20160108012-A1 PROSTAGLANDIN CONJUGATES AND DERIVATIVES FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION PTGIR, PTGIS, PTGS1 CNR1 952/4885CNR2 462/4885THRB 2729/4885
US-10016441-B2 Prostaglandin conjugates and derivatives for treating glaucoma and ocular hypertension PTGIR, PTGIS, PTGS1 CNR1 952/4885CNR2 462/4885THRB 2729/4885
US-20170239268-A1 PROSTAGLANDIN CONJUGATES AND DERIVATIVES FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION PTGIR, PTGIS, PTGS1 CNR1 952/4885CNR2 462/4885THRB 2729/4885

“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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