SCHEMBL17481663

SCHEMBL17481663

CC(O)(CNc1nc(-c2cc(C(=O)O)n(Cc3ccccc3F)n2)ncc1F)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 19/20 0.49
▸ GUCY1A2 P33402 19/20 0.49
▸ GUCY1A1 Q02108 19/20 0.49
▸ GUCY1B1 Q02153 19/20 0.49
▸ CYP2C9 P11712 1/20 0.41
▸ P2RY14 Q15391 1/20 0.38

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
SCHEMBL17481650 0.93 GUCY1B2 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16906986 0.91 GUCY1B2 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL17481655 0.88 GUCY1B2 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082045 0.85 GUCY1B2 (0.50) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL20685145 0.85 GUCY1B2 (0.50) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL17481660 0.85 GUCY1B2 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL17621213 0.84 GUCY1B2 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL17620501 0.84 GUCY1B2 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082470 0.83 GUCY1B2 (0.74) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16906994 0.83 GUCY1B2 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137439-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-18 — — US disclosed
US-20170136019-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-18 — — US disclosed
US-9586937-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2017-03-07 — — US disclosed
US-20160375022-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-12-29 — — US disclosed
US-20160347738-A1 sGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2016-12-01 — — US disclosed
US-20160324856-A1 USE OF SGC STIMULATORS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS CYCLERION THERAPEUTICS, INC. 2016-11-10 — — US disclosed
US-9481689-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2016-11-01 — — US disclosed
US-20160031903-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-02-04 — — 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 (6 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-20160324856-A1 USE OF SGC STIMULATORS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS SMN1; SMN2, PRKG1, GUCY1A2 GUCY1B2 8/4885GUCY1A2 3/4885GUCY1A1 6/4885
US-20170137439-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 GUCY1B2 10/4885GUCY1A2 5/4885GUCY1A1 3/4885
US-20160347738-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 GUCY1B2 10/4885GUCY1A2 5/4885GUCY1A1 3/4885
US-20170136019-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 GUCY1B2 10/4885GUCY1A2 5/4885GUCY1A1 3/4885
US-20160375022-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 GUCY1B2 10/4885GUCY1A2 5/4885GUCY1A1 3/4885
US-20160031903-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 GUCY1B2 10/4885GUCY1A2 5/4885GUCY1A1 3/4885

“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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