SCHEMBL9980407

SCHEMBL9980407

COC(=O)C(C)(Br)c1coc(C)n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32
ENPP3 O14638 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC3 O15379 1/20 0.30
KCNN4 O15554 1/20 0.30

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
SCHEMBL12065582 0.75 PLCG1 (0.32)
SCHEMBL18982315 0.72 MMP8 (0.33) MEN1KMT2A
SCHEMBL19006348 0.71 MEN1 (0.39) ENPP3MEN1KMT2A
SCHEMBL18214733 0.70 ENPP3 (0.35) ENPP3
SCHEMBL2656541 0.69 ENPP3 (0.42) ENPP3
SCHEMBL19006272 0.69 DAO (0.33) MEN1KMT2A
SCHEMBL9980378 0.67 MEN1 (0.33) MEN1KMT2A
SCHEMBL9987530 0.67 PTPRB (0.38) CYP2C19MEN1KMT2AHDAC3KCNN4
SCHEMBL18867386 0.66 ENPP3 (0.35) ENPP3
SCHEMBL286492 0.66 DAGLA (0.43) CYP2C19ENPP3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3079701-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2021-08-11 EP disclosed
US-9611278-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-04-04 US disclosed
US-20160304536-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 US disclosed
EP-3079701-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2016-10-19 EP disclosed
US-9365574-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2016-06-14 US disclosed
EP-2575473-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-01-20 EP disclosed
WO-2015088885-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-06-18 WO disclosed
EP-2575473-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2013-04-10 EP disclosed
US-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-03-21 US disclosed
WO-2011149921-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-12-01 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-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE2A CYP2C19 856/4885ENPP3 366/4885MEN1 1179/4885
US-20160304536-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, PRKG1 CYP2C19 999/4885ENPP3 423/4885MEN1 1241/4885

“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.