SCHEMBL1826467

SCHEMBL1826467

CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
S1PR3 Q99500 1/20 0.45
MMP13 P45452 1/20 0.43
BCL2 P10415 1/20 0.43
P2RX7 Q99572 8/20 0.43
ADAMTS4 O75173 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCB1 P08183 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR88 Q9GZN0 1/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40

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
SCHEMBL1821772 0.94 CTSS (0.49) CTSSCTSKS1PR3MMP13BCL2
SCHEMBL1827183 0.91 CTSS (0.47) CTSSCTSKS1PR3MMP13BCL2
SCHEMBL1823420 0.91 CTSS (0.49) CTSSCTSKS1PR3MMP13BCL2
SCHEMBL1826079 0.91 ALDH1A1 (0.44) CTSSCTSKMMP13P2RX7ADAMTS4
SCHEMBL1823302 0.90 P2RX7 (0.46) CTSSCTSKMMP13P2RX7ALDH1A1
SCHEMBL1825249 0.89 P2RX7 (0.55) CTSSP2RX7
SCHEMBL1825585 0.89 P2RX7 (0.51) CTSSCTSKBCL2P2RX7
SCHEMBL1825279 0.86 MMP13 (0.45) CTSSCTSKMMP13BCL2P2RX7
SCHEMBL1827734 0.84 BACE1 (0.48) P2RX7
SCHEMBL1825145 0.84 P2RX7 (0.45) CTSSCTSKMMP13P2RX7ALDH1A1

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 CTSS 3179/4885CTSK 4129/4885S1PR3 1537/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CTSS 687/4885CTSK 1578/4885S1PR3 2583/4885

“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.