SCHEMBL2838892

SCHEMBL2838892

CC(C(=O)OCc1ccccc1)c1ccccc1OS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
ACHE P22303 5/20 0.49
ALDH1A1 P00352 3/20 0.44
CASP1 P29466 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CTSB P07858 1/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ELANE P08246 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 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
SCHEMBL2838943 0.87 CA1 (0.47) CA1CA2ACHEALDH1A1CASP1
SCHEMBL2830829 0.85 TSHR (0.43) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL8326325 0.83 RXRA (0.49) CA1CA2ACHEALDH1A1MAPK1
SCHEMBL2832086 0.83 LMNA (0.49) CA1CA2ACHEALDH1A1MAPK1
SCHEMBL2835291 0.81 CA1 (0.42) CA1CA2ACHEALDH1A1L3MBTL1
SCHEMBL11101537 0.81 MMP2 (0.47) CA1CA2ACHEKMT2AELANE
SCHEMBL2839036 0.81 MMP2 (0.47) CA1CA2ACHEKMT2AELANE
SCHEMBL1826573 0.79 CA2 (0.47) CA1CA2ACHEALDH1A1CA12
SCHEMBL1825221 0.79 CA1 (0.41) CA1CA2ACHECA9MAPK1
SCHEMBL2838539 0.78 CA1 (0.51) CA1CA2ACHEALDH1A1PPARG

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 CA1 1603/4885CA2 730/4885ACHE 3905/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA1 1728/4885CA2 349/4885ACHE 565/4885

“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.