SCHEMBL1780667

SCHEMBL1780667

CCOC(=O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)n2)c1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 7/20 0.59
GUCY1B1 Q02153 7/20 0.59
KDM4E B2RXH2 6/20 0.50
HPGD P15428 6/20 0.50
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
MAPT P10636 4/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42

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
SCHEMBL1783939 0.95 GUCY1A1 (0.58) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL1781716 0.93 GUCY1A1 (0.57) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL1781719 0.93 GUCY1A1 (0.57) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL3996047 0.92 GUCY1A1 (0.58) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL1781571 0.92 GUCY1A1 (0.57) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL1781591 0.91 GUCY1A1 (0.62) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL1781125 0.91 GUCY1A1 (0.61) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL1784182 0.91 GUCY1A1 (0.61) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL1782030 0.91 GUCY1A1 (0.61) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL1781941 0.90 KEAP1 (0.51) GUCY1A1GUCY1B1KDM4EALDH1A1MAPT

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 6 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 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
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 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 GUCY1A1 3/4885GUCY1B1 1/4885KDM4E 1970/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 GUCY1A1 3/4885GUCY1B1 1/4885KDM4E 1970/4885

“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.