SCHEMBL1828237

SCHEMBL1828237

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.43
ADAMTS4 O75173 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCB1 P08183 1/20 0.41
BCL2 P10415 1/20 0.41
EGFR P00533 1/20 0.41
P2RX7 Q99572 7/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ENPP3 O14638 4/20 0.40
ENPP1 P22413 4/20 0.40
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL3566824 0.90 P2RX7 (0.44) MMP13EGFRP2RX7ALDH1A1SMN1; SMN2
SCHEMBL1823193 0.86 P2RX7 (0.47) MMP13CTSSCTSKABCB1BCL2
SCHEMBL1825279 0.86 MMP13 (0.45) MMP13ADAMTS4CTSSCTSKTDP1
SCHEMBL1821772 0.85 CTSS (0.49) MMP13ADAMTS4CTSSCTSKTDP1
SCHEMBL1822269 0.84 CTSS (0.38) MMP13CTSSCTSKABCB1ALDH1A1
SCHEMBL1826467 0.84 CTSS (0.50) MMP13ADAMTS4CTSSCTSKTDP1
SCHEMBL1827771 0.82 ALDH1A1 (0.46) MMP13ADAMTS4CTSSCTSKABCB1
SCHEMBL1825630 0.81 EGFR (0.43) MMP13ADAMTS4CTSSCTSKTDP1
SCHEMBL1826596 0.81 P2RX7 (0.53) MMP13CTSSCTSKABCB1BCL2
SCHEMBL1826490 0.81 ABCB1 (0.50) MMP13ADAMTS4CTSSCTSKABCB1

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 MMP13 4589/4885ADAMTS4 4799/4885CTSS 3179/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MMP13 4114/4885ADAMTS4 4532/4885CTSS 687/4885

“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.