SCHEMBL17620944

SCHEMBL17620944

CC(=O)c1cc(-c2ncc(F)c(NCC(O)CO)n2)nn1Cc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 13/20 0.48
▸ GUCY1A2 P33402 13/20 0.48
▸ GUCY1A1 Q02108 13/20 0.48
▸ GUCY1B1 Q02153 13/20 0.48
▸ BUB1 O43683 3/20 0.40
▸ IRAK1 P51617 3/20 0.39
▸ IRAK4 Q9NWZ3 3/20 0.39
▸ CYP2C9 P11712 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
SCHEMBL23787988 0.91 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1BUB1
SCHEMBL17621215 0.88 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16081768 0.87 GUCY1B2 (0.50) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16906879 0.86 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL19456637 0.86 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16906967 0.86 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16806614 0.85 GUCY1B2 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1BUB1
SCHEMBL23787907 0.85 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL17621213 0.85 GUCY1B2 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL23666457 0.85 GUCY1B2 (0.47) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11357777-B2 Use of sGC stimulators for the treatment of nonalcoholic steatohepatitis (NASH) CYCLERION THERAPEUTICS, INC. (US) 2022-06-14 — — US disclosed
EP-3411026-B1 USE OF STIMULATORS OF SOLUBLE GUANYLATE CYCLASE FOR THE TREATMENT OF NONALCOHOLIC STEATOHEPATITIS (NASH) CYCLERION THERAPEUTICS INC (US) 2022-03-09 — — EP disclosed
EP-3194382-B1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2021-09-08 — — EP disclosed
US-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2021-07-22 — — US disclosed
US-20210161893-A1 USE OF sGC STIMULATORS FOR THE TREATMENT OF NONALCOHOLIC STEATOHEPATITIS (NASH) CYCLERION THERAPEUTICS, INC. 2021-06-03 — — US disclosed
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC 2019-09-19 — — US disclosed
US-20190031641-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2019-01-31 — — US disclosed
WO-2018111795-A2 USE OF SGC STIMULATORS FOR THE TREATMENT OF ESOPHAGEAL MOTILITY DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-06-21 — — WO disclosed
US-20170291889-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-12 — — US disclosed
US-20170291889-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-12 — — US disclosed
WO-2017136309-A1 USE OF sGC STIMULATORS FOR THE TREATMENT OF NONALCOHOLIC STEATOHEPATITIS (NASH) IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-10 — — WO disclosed
WO-2016044447-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 — — 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 (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-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 GUCY1B2 22/4885GUCY1A2 15/4885GUCY1A1 19/4885
US-20170291889-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 GUCY1B2 22/4885GUCY1A2 15/4885GUCY1A1 19/4885
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS PTGIS, GMPS, NOS3 GUCY1B2 23/4885GUCY1A2 15/4885GUCY1A1 16/4885
US-11357777-B2 Use of sGC stimulators for the treatment of nonalcoholic steatohepatitis (NASH) GLS2, GPR119, PRKG1 GUCY1B2 16/4885GUCY1A2 9/4885GUCY1A1 8/4885
US-20190031641-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 GUCY1B2 22/4885GUCY1A2 15/4885GUCY1A1 19/4885
US-20210161893-A1 USE OF sGC STIMULATORS FOR THE TREATMENT OF NONALCOHOLIC STEATOHEPATITIS (NASH) GLS2, GPR119, PRKG1 GUCY1B2 16/4885GUCY1A2 9/4885GUCY1A1 8/4885

“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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