SCHEMBL1825868

SCHEMBL1825868

CC(C)OC(=O)CC(NCc1ccccc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MAPT P10636 1/20 0.38
CNR2 P34972 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1823743 0.90 PLA2G1B (0.42) PLA2G1BATG4BCNR2CA2CA1
SCHEMBL1823036 0.89 ADAMTS4 (0.42) TSHRPLA2G1BATG4BMAPTCNR2
SCHEMBL1827614 0.87 ALDH1A1 (0.45) PLA2G1BATG4BCA2CA1ACHE
SCHEMBL1823961 0.87 CA1 (0.44) MAPTCA2CA1ACHEALDH1A1
SCHEMBL1824442 0.87 PPID (0.43) TSHRPLA2G1BATG4BMAPTCNR2
SCHEMBL3576947 0.86 CA12 (0.43) PLA2G1BATG4BCA2CA1
SCHEMBL1825468 0.86 ENPP2 (0.42) MAPTCNR2MEN1KMT2AALDH1A1
SCHEMBL1823782 0.83 TSHR (0.42) TSHRMAPTMEN1KMT2A
SCHEMBL1826417 0.83 CA1 (0.48) CA2CA1ACHEMEN1KMT2A
SCHEMBL1827075 0.83 TSHR (0.41) TSHRPLA2G1BATG4BMAPTCNR2

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 1200/4885PLA2G1B 4470/4885ATG4B 3296/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TSHR 2860/4885PLA2G1B 4673/4885ATG4B 734/4885

“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.