SCHEMBL955905

SCHEMBL955905

CC(C)(C)OC(=O)NC(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
CTSK P43235 6/20 0.47
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
ACE P12821 1/20 0.47
PPARD Q03181 2/20 0.46
IDO1 P14902 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
CTSS P25774 3/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL28821322 1.00 ALDH1A1 (0.48) ALDH1A1TSHRCTSKPPARAPPARG
SCHEMBL955903 1.00 ALDH1A1 (0.48) ALDH1A1TSHRCTSKPPARAPPARG
SCHEMBL20562067 0.97 ALDH1A1 (0.50) ALDH1A1TSHRCTSKPPARAPPARG
SCHEMBL20562065 0.97 ALDH1A1 (0.50) ALDH1A1TSHRCTSKPPARAPPARG
SCHEMBL31028252 0.93 CTSK (0.47) ALDH1A1TSHRCTSKPPARAPPARG
SCHEMBL31306238 0.93 PPARA (0.49) ALDH1A1TSHRCTSKPPARAPPARG
SCHEMBL31228403 0.93 PPARA (0.49) ALDH1A1TSHRCTSKPPARAPPARG
SCHEMBL952620 0.87 CTSK (0.48) CTSKPPARACTSS
SCHEMBL952619 0.87 CTSK (0.48) CTSKPPARACTSS
SCHEMBL15699370 0.87 CTSK (0.48) CTSKPPARACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929705-A MLL1 inhibitor and anticancer agent 诺华公司 2022-08-19 CN disclosed
US-9278997-B2 Processes for the manufacture of macrocyclic depsipeptides and new intermediates NOVARTIS AG (CH) 2016-03-08 US disclosed
US-20140080995-A1 Processes for the Manufacture of Macrocyclic Depsipeptides and New Intermediates NOVARTIS AG (CH) 2014-03-20 US disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
EP-2699585-A1 PROCESSES FOR THE MANUFACTURE OF MACROCYCLIC DEPSIPEPTIDES AND NEW INTERMEDIATES Novartis AG (CH) 2014-02-26 EP disclosed
US-8614289-B2 Processes for the manufacture of macrocyclic depsipeptides and new intermediates NOVARTIS AG (CH) 2013-12-24 US disclosed
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
US-20120277406-A1 Processes for the Manufacture of Macrocyclic Depsipeptides and New Intermediates NOVARTIS AG (CH) 2012-11-01 US disclosed
WO-2012143888-A1 PROCESSES FOR THE MANUFACTURE OF MACROCYCLIC DEPSIPEPTIDES AND NEW INTERMEDIATES NOVARTIS AG (CH) 2012-10-26 WO disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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 (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-20120277406-A1 Processes for the Manufacture of Macrocyclic Depsipeptides and New Intermediates VIP, NPPA, PTMS ALDH1A1 2965/4885TSHR 2988/4885CTSK 1094/4885
US-20140080995-A1 Processes for the Manufacture of Macrocyclic Depsipeptides and New Intermediates VIP, NPPA, PTMS ALDH1A1 2965/4885TSHR 2988/4885CTSK 1094/4885
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 ALDH1A1 2297/4885TSHR 916/4885CTSK 1809/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 ALDH1A1 1179/4885TSHR 1012/4885CTSK 2016/4885

“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.