SCHEMBL2838600

SCHEMBL2838600

Cc1ccc(S(=O)(=O)Oc2cccc(C(C)C(=O)O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.56
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
G6PD P11413 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
GPR17 Q13304 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP2D6 P10635 1/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
PTGS2 P35354 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1823066 0.92 MEN1 (0.47) PTGS1MAPTGAAG6PDNPSR1
SCHEMBL2834837 0.91 PTGS1 (0.64) PTGS1MAPTMEN1KMT2AAKR1C3
SCHEMBL1823888 0.88 MEN1 (0.46) PTGS1MAPTGAAG6PDNPSR1
SCHEMBL1824909 0.87 GPR17 (0.47) PTGS1MAPTGAAG6PDNPSR1
SCHEMBL1824464 0.86 GPR17 (0.44) PTGS1MAPTGAAG6PDNPSR1
SCHEMBL1823209 0.85 MEN1 (0.50) MAPTGAAG6PDNPSR1MEN1
SCHEMBL1826362 0.84 GPR17 (0.43) PTGS1MAPTGAAG6PDNPSR1
SCHEMBL1824648 0.84 PTGS1 (0.55) PTGS1MAPTMEN1KMT2AGPR17
SCHEMBL1825591 0.84 PSEN1 (0.52) PTGS1MAPTGAAG6PDNPSR1
SCHEMBL2838458 0.83 MEN1 (0.52) PTGS1MAPTMEN1KMT2AAKR1C3

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 3787/4885MAPT 4712/4885GAA 2170/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PTGS1 3968/4885MAPT 2237/4885GAA 98/4885

“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.