SCHEMBL1781024

SCHEMBL1781024

CO[C@H]1CC[C@@H](c2ccc(COc3ccccc3-c3cccc(-n4ncc(C(=O)O)c4C(F)(F)F)n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 18/20 0.55
GUCY1B1 Q02153 18/20 0.55
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45

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
SCHEMBL12603768 1.00 GUCY1A1 (0.55) GUCY1A1GUCY1B1KEAP1NFE2L2
SCHEMBL1780525 1.00 GUCY1A1 (0.55) GUCY1A1GUCY1B1KEAP1NFE2L2
SCHEMBL1780526 1.00 GUCY1A1 (0.55) GUCY1A1GUCY1B1KEAP1NFE2L2
SCHEMBL18335039 0.91 GUCY1A1 (0.45) GUCY1A1GUCY1B1
SCHEMBL18335015 0.91 GUCY1A1 (0.45) GUCY1A1GUCY1B1
SCHEMBL1780344 0.90 GUCY1A1 (0.56) GUCY1A1GUCY1B1KEAP1NFE2L2
SCHEMBL12603769 0.89 GUCY1A1 (0.56) GUCY1A1GUCY1B1
SCHEMBL1784657 0.89 GUCY1A1 (0.56) GUCY1A1GUCY1B1
SCHEMBL1784660 0.89 GUCY1A1 (0.56) GUCY1A1GUCY1B1
SCHEMBL3043107 0.89 GUCY1A1 (0.60) GUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP claimed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US claimed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US claimed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US claimed
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 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 (2 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-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 GUCY1A1 3/4885GUCY1B1 1/4885KEAP1 2477/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 GUCY1A1 3/4885GUCY1B1 1/4885KEAP1 2477/4885

“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.