SCHEMBL1827772

SCHEMBL1827772

COC(=O)C(c1ccc(OS(C)(=O)=O)cc1)C(N)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
CXCR2 P25025 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CA12 O43570 5/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
STS P08842 1/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
HTT P42858 1/20 0.33
CXCR1 P25024 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA14 Q9ULX7 1/20 0.32
LTA4H P09960 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL1825559 0.94 ALDH1A1 (0.38) CXCR2ALDH1A1CA12CA1CA2
SCHEMBL1824428 0.88 ALDH1A1 (0.36) CXCR2ALDH1A1CA12CA1CA2
SCHEMBL1823824 0.88 STS (0.39) KMT2ACXCR2ALDH1A1CA12CA1
SCHEMBL1825408 0.87 KMT2A (0.38) KMT2AALDH1A1STS
SCHEMBL1824703 0.85 KMT2A (0.43) KMT2AALDH1A1ENPP3ENPP1
SCHEMBL1823253 0.84 P2RX7 (0.43) KMT2AALDH1A1ENPP3ENPP1HTT
SCHEMBL1826637 0.83 LTA4H (0.42) CA1CA2LTA4H
SCHEMBL1825518 0.82 CXCR2 (0.34) KMT2ACXCR2ALDH1A1CA12CA1
SCHEMBL1828260 0.81 KMT2A (0.46) KMT2ACXCR2ALDH1A1CA12CA1
SCHEMBL1827289 0.81 KCNA5 (0.38) CXCR2ALDH1A1CA12CA1CA2

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 KMT2A 1068/4885CXCR2 1017/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KMT2A 1084/4885CXCR2 4382/4885ALDH1A1 1440/4885

“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.