SCHEMBL1826124

SCHEMBL1826124

CCOC(=O)C(Cc1ccc(OS(C)(=O)=O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ABCB1 P08183 1/20 0.47
BCL2 P10415 1/20 0.47
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
SCN9A Q15858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
P2RX7 Q99572 2/20 0.44
PPARG P37231 1/20 0.43
ACE P12821 1/20 0.43
KLK5 Q9Y337 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
SCHEMBL1826126 1.00 ITGB3 (0.48) ITGB3ITGA2BABCB1BCL2CTSS
SCHEMBL1827228 0.92 ITGB3 (0.51) ITGB3ITGA2BABCB1BCL2CTSS
SCHEMBL1827227 0.92 ITGB3 (0.51) ITGB3ITGA2BABCB1BCL2CTSS
SCHEMBL1824223 0.91 KLK5 (0.52) ITGB3ITGA2BABCB1BCL2CTSS
SCHEMBL14885696 0.91 KLK5 (0.52) ITGB3ITGA2BABCB1BCL2CTSS
SCHEMBL1824802 0.91 KLK5 (0.52) ITGB3ITGA2BABCB1BCL2CTSS
SCHEMBL919043 0.89 ITGB3 (0.49) ITGB3ITGA2BABCB1BCL2CTSS
SCHEMBL2858945 0.89 ITGB3 (0.49) ITGB3ITGA2BABCB1BCL2CTSS
SCHEMBL1824617 0.88 ITGB3 (0.47) ITGB3ITGA2BABCB1BCL2CTSS
SCHEMBL1824620 0.88 ITGB3 (0.47) ITGB3ITGA2BABCB1BCL2CTSS

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 ITGB3 2686/4885ITGA2B 2709/4885ABCB1 1436/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ITGB3 4493/4885ITGA2B 4364/4885ABCB1 209/4885

“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.