SCHEMBL2838485

SCHEMBL2838485

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.52
AKR1C3 P42330 10/20 0.51
AKR1C2 P52895 9/20 0.51
CXCR1 P25024 3/20 0.51
PTGS2 P35354 9/20 0.50
PTGS1 P23219 7/20 0.50
TSHR P16473 2/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
CDC42 P60953 1/20 0.50
RAC1 P63000 1/20 0.50
CYP1A2 P05177 1/20 0.50
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL1825546 0.89 CXCR2 (0.49) CXCR2AKR1C3AKR1C2CXCR1PTGS2
SCHEMBL1345445 0.84 CA2 (0.57) CXCR2AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL1819458 0.84 PTGS2 (0.49) CXCR2AKR1C3AKR1C2CXCR1PTGS2
SCHEMBL1343632 0.84 CA2 (0.57) CXCR2AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL12129528 0.84 PTGS2 (0.49) CXCR2AKR1C3AKR1C2CXCR1PTGS2
SCHEMBL1824069 0.84 EPHX1 (0.49) CXCR2AKR1C3AKR1C2CXCR1
SCHEMBL26354519 0.84 EPHX1 (0.49) CXCR2AKR1C3AKR1C2CXCR1
SCHEMBL1345636 0.83 CXCR2 (0.69) CXCR2AKR1C3AKR1C2CXCR1PTGS2
SCHEMBL245190 0.83 CXCR2 (0.69) CXCR2AKR1C3AKR1C2CXCR1PTGS2
SCHEMBL1820095 0.83 CXCR2 (0.69) CXCR2AKR1C3AKR1C2CXCR1PTGS2

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 7 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
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 1017/4885AKR1C3 121/4885AKR1C2 192/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CXCR2 4382/4885AKR1C3 270/4885AKR1C2 418/4885

“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.