SCHEMBL1826474

SCHEMBL1826474

CC(=O)OCC(Cc1ccc(OS(C)(=O)=O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ABCB1 P08183 1/20 0.40
BCL2 P10415 1/20 0.40
APP P05067 3/20 0.39
SYK P43405 1/20 0.39
PPARG P37231 2/20 0.39
CTSS P25774 6/20 0.38
CTSK P43235 5/20 0.38
HDAC8 Q9BY41 1/20 0.38
PPARA Q07869 1/20 0.38
PTPRB P23467 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL1828722 0.89 ATM (0.47) ATMITGB3ITGA2BABCB1BCL2
SCHEMBL1824160 0.86 ATM (0.49) ATMABCB1BCL2APPCTSS
SCHEMBL1827412 0.86 ATM (0.49) ATMITGB3ITGA2BABCB1BCL2
SCHEMBL1827863 0.86 P2RX7 (0.51) ATMBCL2CTSL
SCHEMBL1825418 0.84 ABCB1 (0.50) ATMITGB3ITGA2BABCB1BCL2
Methoxymethane SCHEMBL1828723 0.84 ATM (0.47) ATMITGB3ITGA2BABCB1BCL2
SCHEMBL1823118 0.83 ATM (0.46) ATMITGB3ITGA2BABCB1BCL2
SCHEMBL1824787 0.83 PPARA (0.55) ATMABCB1BCL2APPSYK
SCHEMBL1824924 0.83 ATM (0.44) ATMITGB3ITGA2BABCB1BCL2
SCHEMBL7693886 0.82 ATM (0.65) ATMAPPSYKCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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 (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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 ATM 4601/4885ITGB3 2686/4885ITGA2B 2709/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ATM 4386/4885ITGB3 4493/4885ITGA2B 4364/4885

“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.