SCHEMBL1827289

SCHEMBL1827289

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.38
STS P08842 2/20 0.34
CXCR2 P25025 1/20 0.33
PPARG P37231 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
LTA4H P09960 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 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
SCHEMBL1825141 0.93 ALDH1A1 (0.34) STSCXCR2PPARGALDH1A1CA12
SCHEMBL1826942 0.90 STS (0.39) STSPPARGALDH1A1CA12CA1
SCHEMBL1824724 0.89 ALDH1A1 (0.34) KCNA5STSCXCR2PPARGALDH1A1
SCHEMBL1827072 0.87 KCNA5 (0.38) KCNA5CA12CA1CA2CA9
SCHEMBL1825305 0.86 KCNA5 (0.42) KCNA5ALDH1A1ENPP3ENPP1
SCHEMBL1826057 0.85 P2RX7 (0.41) PPARGALDH1A1ENPP3ENPP1
SCHEMBL1827379 0.85 SLC15A1 (0.42) PPARGCA1CA2LTA4H
SCHEMBL1823121 0.84 CXCR2 (0.33) KCNA5STSCXCR2PPARGALDH1A1
SCHEMBL1824254 0.81 CA1 (0.45) KCNA5PPARGALDH1A1CA12CA1
SCHEMBL1827772 0.81 KMT2A (0.38) STSCXCR2ALDH1A1CA12CA1

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 KCNA5 1251/4885STS 625/4885CXCR2 1017/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KCNA5 1899/4885STS 131/4885CXCR2 4382/4885

“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.