SCHEMBL1826490

SCHEMBL1826490

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.50
MMP13 P45452 1/20 0.44
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
P2RX7 Q99572 7/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
AGTR1 P30556 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL1827771 0.95 ALDH1A1 (0.46) ABCB1MMP13CTSSCTSKP2RX7
SCHEMBL1826246 0.92 ABCB1 (0.43) ABCB1MMP13CTSSCTSKP2RX7
SCHEMBL1827338 0.92 TSHR (0.44) ABCB1MMP13CTSSCTSKP2RX7
SCHEMBL1824109 0.91 MEN1 (0.43) ABCB1MMP13P2RX7ALDH1A1HTT
SCHEMBL1827656 0.90 P2RX7 (0.44) ABCB1MMP13P2RX7ALDH1A1LMNA
SCHEMBL1823238 0.90 P2RX7 (0.50) ABCB1P2RX7ALDH1A1LMNAPKM
SCHEMBL1823089 0.90 P2RX7 (0.54) ABCB1P2RX7MAPT
SCHEMBL3568475 0.85 ABCB1 (0.42) ABCB1MMP13CTSSCTSKALDH1A1
SCHEMBL1826075 0.85 CASP3 (0.47) ABCB1P2RX7TP53
SCHEMBL1824715 0.85 ABCB1 (0.42) ABCB1P2RX7ALDH1A1SMN1; SMN2ADAMTS4

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 ABCB1 1436/4885MMP13 4589/4885CTSS 3179/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ABCB1 209/4885MMP13 4114/4885CTSS 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.