SCHEMBL1825871

SCHEMBL1825871

CC(C)OC(=O)CC(N)(Cc1ccccc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.38
CETP P11597 1/20 0.38
STS P08842 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HIF1A Q16665 1/20 0.34
PPARG P37231 4/20 0.33
PPARA Q07869 3/20 0.33
KCNH2 Q12809 2/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
MMP1 P03956 2/20 0.33
MMP13 P45452 2/20 0.33
MRGPRX2 Q96LB1 1/20 0.33
CHRM3 P20309 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL1823040 0.89 TSHR (0.41) TSHRMAPTCETPSMN1; SMN2ALDH1A1
SCHEMBL1823744 0.87 MMP1 (0.39) STSSMN1; SMN2PTPN1ALDH1A1HIF1A
SCHEMBL1825471 0.86 ENPP1 (0.42) TSHRALDH1A1PPARG
SCHEMBL1824444 0.85 PPARG (0.41) STSPTPN1ALDH1A1PPARGPPARA
SCHEMBL1823964 0.85 CA1 (0.41) PTPN1ALDH1A1PPARGPPARACA12
SCHEMBL3576949 0.85 CA1 (0.37) CETPSTSSMN1; SMN2PTPN1HIF1A
SCHEMBL1826418 0.81 TSHR (0.40) TSHRMAPTPTPN1ALDH1A1PPARG
SCHEMBL1823977 0.76 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1MMP1MMP13
SCHEMBL1824717 0.75 KDM4E (0.39) MAPTCETPSMN1; SMN2ALDH1A1MMP1
SCHEMBL1825774 0.75 HSD11B1 (0.44) MAPTSMN1; SMN2ALDH1A1PPARG

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 TSHR 1200/4885MAPT 4712/4885CETP 4041/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TSHR 2860/4885MAPT 2237/4885CETP 2472/4885

“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.