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Sugi Predict / Compounds / SCHEMBL396592

SCHEMBL396592

SCHEMBL396592

CCOC(=O)C(=CNc1cc(OC)ccc1Br)C(=O)OCC

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.66
▸ NPSR1 Q6W5P4 4/20 0.66
▸ MAPT P10636 4/20 0.64
▸ LMNA P02545 3/20 0.64
▸ GAA P10253 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ DHODH Q02127 3/20 0.54
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ MAPK1 P28482 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL10862234 0.87 KDM4E (0.76) KDM4ENPSR1MAPTLMNAGAA
SCHEMBL10860624 0.87 MEN1 (0.60) KDM4ENPSR1MAPTLMNAGAA
SCHEMBL2970561 0.85 MEN1 (0.75) KDM4ENPSR1MAPTLMNAGAA
SCHEMBL14358190 0.84 LMNA (0.70) KDM4ENPSR1MAPTLMNAGAA
SCHEMBL2487488 0.83 MEN1 (0.56) KDM4ENPSR1MAPTLMNAGAA
SCHEMBL4652637 0.82 LMNA (0.67) KDM4ENPSR1MAPTLMNAGAA
SCHEMBL5491699 0.81 KDM4E (0.48) KDM4ENPSR1MAPTLMNAGAA
SCHEMBL17128366 0.80 DHODH (0.74) KDM4ENPSR1MAPTLMNAGAA
SCHEMBL545096 0.78 DHODH (0.75) KDM4ENPSR1MAPTLMNAGAA
SCHEMBL396593 0.78 KDM4E (0.43) KDM4ENPSR1MAPTLMNAGAA

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 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 — — CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 — — EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 — — US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 — — EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 — — US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 — — EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 — — EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 — — US disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 — — US disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 — — US disclosed
EP-1974212-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH Vertex Pharmaceuticals Incorporated (US) 2008-10-01 — — EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 — — WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 — — WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 — — EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 — — US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 — — WO disclosed
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 — — 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 (5 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885NPSR1 3758/4885MAPT 4269/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KDM4E 4262/4885NPSR1 3758/4885MAPT 4269/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885NPSR1 3758/4885MAPT 4269/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 KDM4E 4552/4885NPSR1 3710/4885MAPT 4775/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 KDM4E 4649/4885NPSR1 3243/4885MAPT 4847/4885

“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.