SCHEMBL1780967

SCHEMBL1780967

O=C(O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(CCc4ccc(C(F)(F)F)cc4)cc3)n2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
GUCY1A1 Q02108 14/20 0.47
GUCY1B1 Q02153 14/20 0.47
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGER1 P34995 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL1781232 0.96 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL1781941 0.95 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL1782524 0.94 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL1781332 0.93 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL17948318 0.91 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL3995334 0.91 KEAP1 (0.55) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL3998934 0.90 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL3994350 0.89 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL18335036 0.89 GUCY1A1 (0.39) KEAP1NFE2L2GUCY1A1GUCY1B1PTGER1
SCHEMBL4002493 0.89 KEAP1 (0.54) KEAP1NFE2L2GUCY1A1GUCY1B1POLB

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 16 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-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 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
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
WO-2009032249-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK & CO., INC. (US) 2009-03-12 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 (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 KEAP1 2477/4885NFE2L2 2819/4885GUCY1A1 3/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 KEAP1 2477/4885NFE2L2 2819/4885GUCY1A1 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.