SCHEMBL1827121

SCHEMBL1827121

CC(C)(C)C(c1ccccc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CXCR2 P25025 2/20 0.38
CA2 P00918 5/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 1/20 0.37
CXCR1 P25024 1/20 0.37
PPARG P37231 2/20 0.36
NFE2L2 Q16236 1/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
ACP3 P15309 1/20 0.36
MEN1 O00255 1/20 0.35
PLIN1 O60240 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1827576 0.84 TDP1 (0.54) ALDH1A1L3MBTL1CA2KDM4ECA12
SCHEMBL3838502 0.82 CA2 (0.41) ALDH1A1CXCR2CA2KDM4EGAA
SCHEMBL1826064 0.81 CA1 (0.41) CXCR2CA2CXCR1PPARGNFE2L2
SCHEMBL1828183 0.81 CXCR2 (0.40) ALDH1A1CXCR2CA2KDM4EGAA
SCHEMBL1827936 0.79 ALDH1A1 (0.53) ALDH1A1CA2KDM4ECA12PPARG
SCHEMBL1821528 0.78 FFAR1 (0.42) CA2KDM4ECA12PPARGNFE2L2
SCHEMBL1824757 0.78 CYP24A1 (0.35) ATML3MBTL1CA2CA1
SCHEMBL23159235 0.77 PTGS2 (0.47) ALDH1A1
SCHEMBL1826457 0.76 ALDH1A1 (0.46) ALDH1A1CXCR2CA2KDM4EGAA
SCHEMBL323791 0.75 CA1 (0.58) ALDH1A1CA2PPARGNFE2L2CA1

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 ALDH1A1 1099/4885ATM 4601/4885L3MBTL1 2772/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885ATM 4386/4885L3MBTL1 4827/4885

“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.