SCHEMBL1827274

SCHEMBL1827274

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CA2 P00918 4/20 0.36
CA1 P00915 3/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA4 P22748 1/20 0.36
MMP13 P45452 1/20 0.36
CYP2D6 P10635 1/20 0.36
CXCR2 P25025 1/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 2/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL3568475 0.91 ABCB1 (0.42) ABCB1CTSSCTSKCA2CA1
SCHEMBL1823945 0.90 HTT (0.40) ABCB1CTSSCTSKCA2CA1
SCHEMBL1825333 0.87 THRB (0.41) MAPTGAAALDH1A1TSHRHTT
SCHEMBL1826246 0.86 ABCB1 (0.43) ABCB1CTSSCTSKMMP13HPGD
SCHEMBL1827589 0.86 P2RX7 (0.42) CA2CA1CA7CA9CA4
SCHEMBL3582246 0.85 KMT2A (0.43) CXCR2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1824723 0.83 CA12 (0.37) CTSSCTSKCA2CA1CA9
SCHEMBL1825632 0.83 ATM (0.44) ABCB1CTSSCTSKCA2HPGD
SCHEMBL1826013 0.82 SYK (0.47) ABCB1CTSSCA2CA1HPGD
SCHEMBL1827975 0.81 KMT2A (0.40) ABCB1CXCR2ALDH1A1HTTKMT2A

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 1436/4885CTSS 3179/4885CTSK 4129/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ABCB1 209/4885CTSS 687/4885CTSK 1578/4885

“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.