SCHEMBL1780327

SCHEMBL1780327

CCOC(=O)c1cnn(-c2cncc(-c3cc(Cl)ccc3OCc3ccc([C@H]4CC[C@H](C(F)(F)F)CC4)cc3)n2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 10/20 0.47
GUCY1B1 Q02153 10/20 0.47
MAPT P10636 4/20 0.40
KDM4E B2RXH2 6/20 0.39
HPGD P15428 6/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPC1 P48995 1/20 0.39
TRPC3 Q13507 1/20 0.39
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
STIM2 Q9P246 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 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
SCHEMBL1781685 1.00 GUCY1A1 (0.47) GUCY1A1GUCY1B1MAPTKDM4EHPGD
SCHEMBL1780330 1.00 GUCY1A1 (0.47) GUCY1A1GUCY1B1MAPTKDM4EHPGD
SCHEMBL1780471 0.92 GUCY1A1 (0.55) GUCY1A1GUCY1B1MAPTKDM4EHPGD
SCHEMBL1780112 0.92 GUCY1A1 (0.55) GUCY1A1GUCY1B1MAPTKDM4EHPGD
SCHEMBL1780113 0.92 GUCY1A1 (0.55) GUCY1A1GUCY1B1MAPTKDM4EHPGD
SCHEMBL1780193 0.91 GUCY1A1 (0.44) GUCY1A1GUCY1B1MEN1KMT2ACYP2C9
SCHEMBL1780191 0.91 GUCY1A1 (0.44) GUCY1A1GUCY1B1MEN1KMT2ACYP2C9
SCHEMBL12603771 0.91 GUCY1A1 (0.44) GUCY1A1GUCY1B1MEN1KMT2ACYP2C9
SCHEMBL1781338 0.91 GUCY1A1 (0.44) GUCY1A1GUCY1B1MEN1KMT2ACYP2C9
SCHEMBL1783675 0.84 GUCY1A1 (0.45) GUCY1A1GUCY1B1MAPTKDM4EHPGD

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 7 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-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-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 1/4885MAPT 2895/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 GUCY1A1 3/4885GUCY1B1 1/4885MAPT 2895/4885

“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.