SCHEMBL94332

SCHEMBL94332

CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.74
AGTR2 P50052 8/20 0.74
ABCC3 O15438 1/20 0.74
ABCC4 O15439 1/20 0.74
ABCB11 O95342 1/20 0.74
CYP3A4 P08684 1/20 0.74
PDE4D Q08499 1/20 0.74
PDE3A Q14432 1/20 0.74
SLCO1B3 Q9NPD5 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
SLCO1B1 Q9Y6L6 1/20 0.74

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
SCHEMBL787257 0.90 AGTR2 (0.78) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL16239690 0.90 AGTR1 (0.59) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL8468601 0.90 AGTR2 (0.77) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL991961 0.89 AGTR1 (0.59) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL1653541 0.89 AGTR2 (0.72) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL10281258 0.89 AGTR2 (0.76) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL3263977 0.88 AGTR1 (0.57) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL28484414 0.86 AGTR1 (0.59) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL991977 0.86 AGTR1 (0.69) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL1640019 0.86 AGTR2 (0.79) AGTR1AGTR2ABCC3ABCC4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426127-B1 NOVEL SOLVATE CRYSTALS DAIICHI SANKYO CO LTD (JP) 2019-09-04 EP disclosed
EP-2891650-B1 METHOD FOR PRODUCING BIARYL COMPOUND API CORP (JP) 2018-08-01 EP disclosed
US-9624181-B2 Method for producing biaryl compound API CORPORATION (JP) 2017-04-18 US disclosed
US-20160102079-A1 ACETONE SOLVATE CRYSTALS OF TRITYL OMESARTAN MEDOXOMIL DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-04-14 US disclosed
US-20150239853-A1 METHOD FOR PRODUCING BIARYL COMPOUND API CORPORATION (JP) 2015-08-27 US disclosed
EP-2891650-A1 METHOD FOR PRODUCING BIARYL COMPOUND API Corporation (JP) 2015-07-08 EP disclosed
US-8933241-B2 Method for producing olmesartan medoxomil DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-13 US disclosed
EP-2426126-B1 METHOD FOR PRODUCING OLMESARTAN MEDOXOMIL DAIICHI SANKYO CO LTD (JP) 2014-11-19 EP disclosed
US-8859600-B2 Acetone solvate crystals of trityl olmesartan medoxomil DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-10-14 US disclosed
US-20120071665-A1 METHOD FOR PRODUCING OLMESARTAN MEDOXOMIL DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-20120059172-A1 NOVEL SOLVATE CRYSTALS DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-08 US disclosed
EP-2426127-A1 NOVEL SOLVATE CRYSTALS Daiichi Sankyo Company, Limited (JP) 2012-03-07 EP disclosed
EP-2426126-A1 METHOD FOR PRODUCING OLMESARTAN MEDOXOMIL Daiichi Sankyo Company, Limited (JP) 2012-03-07 EP 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 (4 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-20150239853-A1 METHOD FOR PRODUCING BIARYL COMPOUND MLX, BMX, BRIX1 AGTR1 1993/4885AGTR2 954/4885ABCC3 1950/4885
US-20120071665-A1 METHOD FOR PRODUCING OLMESARTAN MEDOXOMIL MSMO1, MTPN, REN AGTR1 14/4885AGTR2 6/4885ABCC3 4413/4885
US-20160102079-A1 ACETONE SOLVATE CRYSTALS OF TRITYL OMESARTAN MEDOXOMIL THOP1, MSMO1, HAAO AGTR1 23/4885AGTR2 29/4885ABCC3 3412/4885
US-20120059172-A1 NOVEL SOLVATE CRYSTALS REN, LOXL1, LOXL2 AGTR1 8/4885AGTR2 14/4885ABCC3 3895/4885

“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.