SCHEMBL1780112

SCHEMBL1780112

CCOC(=O)c1cnn(-c2cccc(-c3cc(Cl)ccc3OCc3ccc([C@H]4CC[C@@H](C(F)(F)F)CC4)cc3)n2)c1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 15/20 0.55
GUCY1B1 Q02153 15/20 0.55
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1780471 1.00 GUCY1A1 (0.55) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL1780113 1.00 GUCY1A1 (0.55) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL1780327 0.92 GUCY1A1 (0.47) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL1781685 0.92 GUCY1A1 (0.47) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL1780330 0.92 GUCY1A1 (0.47) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL12603767 0.91 GUCY1A1 (0.53) GUCY1A1GUCY1B1
SCHEMBL1781763 0.91 GUCY1A1 (0.53) GUCY1A1GUCY1B1
SCHEMBL1781798 0.91 GUCY1A1 (0.53) GUCY1A1GUCY1B1
SCHEMBL1781761 0.91 GUCY1A1 (0.53) GUCY1A1GUCY1B1
SCHEMBL6853886 0.91 GUCY1A1 (0.53) 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 4 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

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.