SCHEMBL1825690

SCHEMBL1825690

CC(C)OC(=O)C(CNCc1ccccc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
ADRB3 P13945 2/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
CNR2 P34972 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CXCR2 P25025 1/20 0.37
TSHR P16473 1/20 0.37
MITF O75030 1/20 0.37
OPRK1 P41145 1/20 0.37
GPR88 Q9GZN0 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
SCHEMBL1826469 0.90 ADRB3 (0.42) BCHEADRB3CA2CA1ACHE
SCHEMBL1824063 0.89 ADAMTS4 (0.42) BCHEADRB3SMN1; SMN2MEN1KMT2A
SCHEMBL1823455 0.88 BCHE (0.42) BCHEADRB3ADRB2ADRB1OPRK1
SCHEMBL1824135 0.88 SMN1; SMN2 (0.47) BCHEADRB3CA2CA1ACHE
SCHEMBL1827046 0.88 CA2 (0.45) BCHEADRB3CA2CA1ACHE
SCHEMBL1824437 0.86 ATM (0.47) BCHEADRB3CA2CA1ACHE
SCHEMBL1825246 0.86 ENPP2 (0.42) MEN1KMT2ACNR2
SCHEMBL1826212 0.84 CA1 (0.49) CA2CA1ACHE
SCHEMBL3578129 0.83 PPARG (0.42) BCHEADRB3CA2SMN1; SMN2MEN1
SCHEMBL1827075 0.83 TSHR (0.41) BCHEADRB3CA2CA1ACHE

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 BCHE 1041/4885ADRB3 1280/4885CA2 730/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 BCHE 99/4885ADRB3 1134/4885CA2 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.