SCHEMBL2834837

SCHEMBL2834837

CC(C(=O)O)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.64
PTGS2 P35354 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
LMNA P02545 2/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CXCL8 P10145 1/20 0.50
THPO P40225 1/20 0.50
HIF1A Q16665 1/20 0.50
MEN1 O00255 1/20 0.48

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
SCHEMBL1824648 0.93 PTGS1 (0.55) PTGS1PTGS2SMN1; SMN2MAPTALDH1A1
SCHEMBL2838600 0.91 PTGS1 (0.56) PTGS1PTGS2SMN1; SMN2MAPTALDH1A1
SCHEMBL1828838 0.89 PTGS1 (0.50) PTGS1SMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL2839041 0.88 PTGS1 (0.56) PTGS1PTGS2SMN1; SMN2ALDH1A1LMNA
SCHEMBL2831634 0.85 PTGS1 (0.47) PTGS1PTGS2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL1825458 0.85 ALDH1A1 (0.49) PTGS1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL1821552 0.84 PTGS1 (0.46) PTGS1PTGS2SMN1; SMN2MAPTALDH1A1
SCHEMBL1345327 0.84 ADAMTS4 (0.55) PTGS1PTGS2SMN1; SMN2MAPTALDH1A1
SCHEMBL2835298 0.84 ADAMTS4 (0.55) PTGS1PTGS2SMN1; SMN2MAPTALDH1A1
SCHEMBL1345199 0.84 ADAMTS4 (0.55) PTGS1PTGS2SMN1; SMN2MAPTALDH1A1

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 PTGS1 3787/4885PTGS2 3426/4885SMN1; SMN2 2274/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PTGS1 3968/4885PTGS2 3168/4885SMN1; SMN2 3216/4885

“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.