SCHEMBL3436870

SCHEMBL3436870

Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1nccs1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 20/20 0.73
GUCY1A2 P33402 20/20 0.73
GUCY1A1 Q02108 20/20 0.73
GUCY1B1 Q02153 20/20 0.73
OPRK1 P41145 1/20 0.67

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
SCHEMBL17088998 0.90 GUCY1B2 (0.63) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436741 0.86 GUCY1B2 (0.78) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437524 0.86 GUCY1B2 (0.81) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436903 0.86 GUCY1B2 (0.77) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437495 0.85 GUCY1B2 (0.71) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437222 0.85 GUCY1B2 (0.73) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL29778216 0.85 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3439299 0.85 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437519 0.84 GUCY1B2 (0.75) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436905 0.84 GUCY1B2 (0.87) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345130-A1 SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2019-11-14 US disclosed
US-10189809-B2 SGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2019-01-29 US disclosed
US-20170305878-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-20170305878-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
EP-3173407-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2017-05-31 EP disclosed
EP-2588465-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2017-01-25 EP disclosed
US-20140323448-A1 sGC STIMULATORS Ironwood Pharmaceuticals Inc. (US) 2014-10-30 US disclosed
US-20140323448-A1 sGC STIMULATORS Ironwood Pharmaceuticals Inc. (US) 2014-10-30 US disclosed
US-8748442-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-8748442-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-20120184516-A1 sGC Stimulators CYCLERION THERAPEUTICS, INC. 2012-07-19 US disclosed
US-20120184516-A1 sGC Stimulators CYCLERION THERAPEUTICS, INC. 2012-07-19 US disclosed
WO-2012003405-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-01-05 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 (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-20140323448-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885
US-10189809-B2 SGC stimulators GUCY1A1, PTGIS, GUCY1B1 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885
US-20190345130-A1 SGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885

“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.