SCHEMBL4390918

SCHEMBL4390918

CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NR1H2 P55055 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
P2RX7 Q99572 3/20 0.37
ENPP2 Q13822 2/20 0.37
ESR2 Q92731 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
NAMPT P43490 1/20 0.36
MAPK1 P28482 1/20 0.36
LIPE Q05469 1/20 0.36

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
SCHEMBL30088300 0.88 USP30 (0.42) USP30ALDH1A1LMNAMAPTNR1H2
SCHEMBL21920006 0.88 USP30 (0.42) USP30ALDH1A1LMNAMAPTNR1H2
SCHEMBL17863620 0.85 USP30 (0.54) USP30ALDH1A1LMNAMAPTNR1H2
SCHEMBL30233843 0.85 USP30 (0.54) USP30ALDH1A1LMNAMAPTNR1H2
SCHEMBL16610701 0.84 USP30 (0.43) USP30ALDH1A1LMNAMAPTAAK1
SCHEMBL247897 0.83 MAPT (0.59) USP30ALDH1A1LMNAMAPTGPR119
SCHEMBL5325428 0.82 USP30 (0.47) USP30ALDH1A1LMNAMAPTAAK1
SCHEMBL1583382 0.80 ESR2 (0.52) ALDH1A1LMNAMAPTNR1H2HRH3
SCHEMBL12795832 0.80 GPR119 (0.54) ALDH1A1LMNAMAPTNR1H2HRH3
SCHEMBL76458 0.80 NR1H2 (0.54) ALDH1A1LMNAMAPTNR1H2HRH3

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-2632551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-07-06 EP disclosed
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-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 4353/4885ALDH1A1 1356/4885LMNA 879/4885

“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.