SCHEMBL1825546

SCHEMBL1825546

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.49
CXCR1 P25024 1/20 0.48
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
STS P08842 1/20 0.40
PTGS2 P35354 4/20 0.39
PTGS1 P23219 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CDC42 P60953 1/20 0.39
RAC1 P63000 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2838485 0.89 CXCR2 (0.52) CXCR2CXCR1AKR1C3AKR1C2PTGS2
SCHEMBL26354519 0.84 EPHX1 (0.49) CXCR2CXCR1CA2CA12CA1
SCHEMBL1824069 0.84 EPHX1 (0.49) CXCR2CXCR1CA2CA12CA1
SCHEMBL2834104 0.83 CXCR2 (0.50) CXCR2CXCR1CA2CA12CA1
SCHEMBL1823563 0.82 CXCR2 (0.42) CXCR2CXCR1CA2CA12CA1
SCHEMBL1820936 0.81 ALDH1A1 (0.43) CXCR2CXCR1CA2CA12CA1
SCHEMBL1828038 0.81 ENPP3 (0.39) CXCR2CXCR1CA2CA12CA1
SCHEMBL2830143 0.80 CXCR2 (0.45) CXCR2CXCR1AKR1C3AKR1C2STS
SCHEMBL1825924 0.80 PTGS1 (0.53) CXCR2CXCR1CA2CA1CA9
SCHEMBL1824696 0.79 ALDH1A1 (0.42) CXCR2CXCR1CA2CA12CA1

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 CXCR2 1017/4885CXCR1 563/4885CA2 730/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CXCR2 4382/4885CXCR1 4543/4885CA2 349/4885

“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.