SCHEMBL4394939

SCHEMBL4394939

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.48
KDM4E B2RXH2 2/20 0.41
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
AAK1 Q2M2I8 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
ROCK1 Q13464 1/20 0.36
HIF1A Q16665 1/20 0.35
PDE4B Q07343 2/20 0.35
EPHX2 P34913 1/20 0.35
CNR1 P21554 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL31223016 0.89 USP30 (0.52) USP30KDM4EPRMT5WDR77KMT2A
SCHEMBL15775077 0.83 USP30 (0.52) USP30KDM4EAAK1HIF1APDE4B
SCHEMBL21682675 0.82 USP30 (0.44) USP30BACE1BACE2PRMT5WDR77
SCHEMBL30545334 0.81 USP30 (0.40) USP30BACE1BACE2AAK1PRMT5
SCHEMBL30545331 0.81 USP30 (0.40) USP30BACE1BACE2AAK1PRMT5
SCHEMBL23291548 0.81 USP30 (0.54) USP30KDM4EAAK1MEN1KMT2A
SCHEMBL31223082 0.81 USP30 (0.54) USP30KDM4EAAK1MEN1KMT2A
SCHEMBL14852168 0.79 USP30 (0.47) USP30BACE1BACE2AAK1PRMT5
SCHEMBL30376626 0.79 USP30 (0.47) USP30BACE1BACE2AAK1PRMT5
SCHEMBL12280477 0.79 USP30 (0.47) USP30KDM4EBACE1BACE2AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-07-06 EP disclosed
US-8895583-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-8895583-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-8895583-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-20130210798-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210798-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210798-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
WO-2012058132-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 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 (1 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-20130210798-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A1, GUCY1A2 USP30 4353/4885KDM4E 1927/4885BACE1 2633/4885

“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.