SCHEMBL3716670

SCHEMBL3716670

O=S(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 7/20 0.85
▸ ADORA3 P0DMS8 6/20 0.78
▸ TAS1R3 Q7RTX0 1/20 0.75
▸ TAS1R1 Q7RTX1 1/20 0.75
▸ ADORA2A P29274 4/20 0.73
▸ ADORA2B P29275 3/20 0.73
▸ TSHR P16473 3/20 0.73
▸ PMP22 Q01453 2/20 0.73
▸ GAA P10253 1/20 0.73
▸ HTT P42858 1/20 0.73
▸ SIGMAR1 Q99720 1/20 0.73
▸ SLC29A1 Q99808 1/20 0.73
▸ RXFP1 Q9HBX9 1/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ NFKB1 P19838 1/20 0.73
▸ HIF1A Q16665 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.72
▸ TDP1 Q9NUW8 1/20 0.72

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
SCHEMBL3716677 1.00 ADORA1 (0.85) ADORA1ADORA3TAS1R3TAS1R1ADORA2A
SCHEMBL3716662 0.94 ADORA1 (0.86) ADORA1ADORA3TAS1R3TAS1R1ADORA2A
SCHEMBL32662178 0.93 ADORA1 (0.85) ADORA1ADORA3TAS1R3TAS1R1ADORA2A
SCHEMBL32662091 0.92 ADORA1 (0.84) ADORA1ADORA3TAS1R3TAS1R1ADORA2A
SCHEMBL32662392 0.92 ADORA1 (0.84) ADORA1ADORA3TAS1R3TAS1R1ADORA2A
SCHEMBL32662022 0.92 ADORA1 (0.84) ADORA1ADORA3TAS1R3TAS1R1ADORA2A
SCHEMBL120566 0.92 ADORA1 (1.00) ADORA1ADORA3TAS1R3TAS1R1ADORA2A
SCHEMBL120567 0.92 ADORA1 (1.00) ADORA1ADORA3TAS1R3TAS1R1ADORA2A
SCHEMBL14906549 0.87 ADORA3 (1.00) ADORA1ADORA3TAS1R3TAS1R1ADORA2A
SCHEMBL121829 0.86 ADORA1 (0.86) ADORA1ADORA3TAS1R3TAS1R1ADORA2A

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247715-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION Inotek Pharmaceuticals Corporation (US) 2017-11-29 — — EP claimed
US-20160367586-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION 2016-12-22 — — US claimed
US-20160158267-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION INOTEK PHARMACEUTICALS CORPORATION 2016-06-09 — — US claimed
WO-2016090005-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION INOTEK PHARMACEUTICALS CORPORATION (US) 2016-06-09 — — WO claimed
EP-2968388-A1 A METHOD OF PROVIDING OCULAR NEUROPROTECTION Inotek Pharmaceuticals Corporation (US) 2016-01-20 — — EP claimed
US-8877732-B2 Combination, kit and method of reducing intraocular pressure INOTEK PHARMACEUTICALS CORPORATION (US) 2014-11-04 — — US claimed
WO-2014152733-A1 A METHOD OF PROVIDING OCULAR NEUROPROTECTION INOTEK PHARMACEUTICALS CORPORATION (US) 2014-09-25 — — WO claimed
US-20140275128-A1 METHOD OF PROVIDING OCULAR NEUROPROTECTION INOTEK PHARMACEUTICALS CORPORATION (US) 2014-09-18 — — US claimed
US-20130217643-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2013-08-22 — — US claimed
US-8470800-B2 Method of reducing intraocular pressure in humans INOTEK PHARMACEUTICALS CORPORATION (US) 2013-06-25 — — US claimed
US-8455457-B2 Combination compositions for reducing intraocular pressure INOTEK PHARMACEUTICALS CORPORATION (US) 2013-06-04 — — US claimed
EP-2555776-A1 COMBINATION COMPOSITIONS OF ADENOSINE A1 AGONISTS AND NON-SELECTIVE BETA-ADRENERGIC RECEPTOR BLOCKERS FOR REDUCING INTRAOCULAR PRESSURE Inotek Pharmaceuticals Corporation (US) 2013-02-13 — — EP claimed
EP-2555775-A1 COMBINATION COMPOSITIONS OF ADENOSINE A1 AGONISTS AND CARBONIC ANHYDRASE INHIBITORS FOR REDUCING INTRAOCULAR PRESSURE Inotek Pharmaceuticals Corporation (US) 2013-02-13 — — EP claimed
EP-2523669-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE Inotek Pharmaceuticals Corporation (US) 2012-11-21 — — EP claimed
WO-2010127210-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2010-11-04 — — WO claimed
EP-3247715-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION Inotek Pharmaceuticals Corporation (US) 2017-11-29 — — EP disclosed
US-20160367586-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION 2016-12-22 — — US disclosed
WO-2010127210-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2010-11-04 — — WO disclosed
US-20100279970-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2010-11-04 — — US disclosed
US-20100279970-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2010-11-04 — — 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 (5 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-20100279970-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE6G, NDUFB7, PDE3A ADORA1 1957/4885ADORA3 3673/4885TAS1R3 4528/4885
US-20160158267-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION ADORA2A, ADORA1, PDE6C ADORA1 2/4885ADORA3 4/4885TAS1R3 1163/4885
US-20160367586-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE PTGIR, ADORA1, PDE3A ADORA1 2/4885ADORA3 7/4885TAS1R3 1118/4885
US-20140275128-A1 METHOD OF PROVIDING OCULAR NEUROPROTECTION ALDH1A2, GAP43, ALDH1A3 ADORA1 101/4885ADORA3 226/4885TAS1R3 3391/4885
US-20130217643-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE6G, NDUFB7, PDE3A ADORA1 1957/4885ADORA3 3673/4885TAS1R3 4528/4885

“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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