SCHEMBL1827115

SCHEMBL1827115

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
KCNH2 Q12809 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
LPAR1 Q92633 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3511751 0.85 L3MBTL1 (0.47) ACHECA1CA2L3MBTL1LPAR1
SCHEMBL1822664 0.82 CA1 (0.38) ACHECA1CA2L3MBTL1ALDH1A1
SCHEMBL1827268 0.81 CA1 (0.40) ACHECA1CA2L3MBTL1LPAR1
SCHEMBL26982399 0.81 CA1 (0.34) ACHECA1CA2HTR2AHTR2C
SCHEMBL1827233 0.81 ALDH1A1 (0.50) HTR2AHTR2CKCNH2L3MBTL1ALDH1A1
SCHEMBL11101537 0.81 MMP2 (0.47) ACHECA1CA2
SCHEMBL2839036 0.81 MMP2 (0.47) ACHECA1CA2
SCHEMBL1827029 0.81 CA1 (0.34) ACHECA1CA2L3MBTL1
SCHEMBL1823696 0.80 CA1 (0.42) ACHECA1CA2L3MBTL1LPAR1
SCHEMBL1200724 0.80 TSHR (0.39) ACHECA1CA2L3MBTL1ALDH1A1

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