SCHEMBL4860857

SCHEMBL4860857

CC(C)(C)[Si](C)(C)OCCCON

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
DUT P33316 2/20 0.39
ODC1 P11926 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
SCHEMBL5426834 0.95 ADRB2 (0.40) ADRB2ADRB1ADRB3DUTODC1
SCHEMBL28538333 0.90 DUT (0.43) DUT
SCHEMBL1561882 0.85 DUT (0.38) ADRB2ADRB1ADRB3DUT
SCHEMBL8063404 0.85 DUT (0.43) DUT
Hydrochloric Acid SCHEMBL4075421 0.83 DUT (0.37) ADRB2ADRB1ADRB3DUT
SCHEMBL27241092 0.82 DUT (0.42) DUT
SCHEMBL14245094 0.82 DUT (0.42) DUT
SCHEMBL9007756 0.82 DUT (0.42) DUT
SCHEMBL26048168 0.82 DUT (0.37) DUT
SCHEMBL1038400 0.81 ODC1 (0.42) DUTODC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252595-B1 OXIM DERIVATIVES AS HSP90 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-03-26 EP disclosed
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
US-20120264770-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-18 US disclosed
US-8084645-B2 4-phenylamino-benzaldoxime derivatives and uses thereof as mitogen-activated protein kinase kinase (MEK) inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-12-27 US disclosed
US-8084645-B2 4-phenylamino-benzaldoxime derivatives and uses thereof as mitogen-activated protein kinase kinase (MEK) inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-12-27 US disclosed
US-8071766-B2 HSP90 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-06 US disclosed
US-8071766-B2 HSP90 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-06 US disclosed
US-20110053873-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-03 US disclosed
US-20090305998-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20070105859-A1 4-Phenylamino-benzaldoxime derivatives and uses thereof as mitogen-activated protein kinase kinase (mek) inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-10 US disclosed
EP-1674452-A1 NOVEL 4-PHENYLAMINO-BENZALDOXIME DERIVATIVE AND USE THEREOF AS MEK INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-06-28 EP disclosed
US-6960614-B2 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2005-11-01 US disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 US disclosed
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2004-03-18 US disclosed
EP-1301472-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-16 EP disclosed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 WO disclosed
EP-0242482-B1 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1995-09-06 EP disclosed
US-4965270-A Viricides BEECHAM GROUP P.L.C. (GB) 1990-10-23 US disclosed
EP-0242482-A2 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1987-10-28 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 (6 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-20090305998-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 ADRB2 4219/4885ADRB1 3715/4885ADRB3 3892/4885
US-20070105859-A1 4-Phenylamino-benzaldoxime derivatives and uses thereof as mitogen-activated protein kinase kinase (mek) inhibitors MAPK9, MAPK4, MAPK1 ADRB2 1490/4885ADRB1 1484/4885ADRB3 1785/4885
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 ADRB2 825/4885ADRB1 955/4885ADRB3 546/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO ADRB2 601/4885ADRB1 822/4885ADRB3 576/4885
US-20120264770-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 ADRB2 4219/4885ADRB1 3715/4885ADRB3 3892/4885
US-20110053873-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 ADRB2 4208/4885ADRB1 3632/4885ADRB3 3883/4885

“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.