SCHEMBL1823211

SCHEMBL1823211

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ADRB3 P13945 2/20 0.39
ABCB1 P08183 1/20 0.38
KMT2A Q03164 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
BCHE P06276 4/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
BACE1 P56817 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
SCHEMBL1823915 0.90 ATM (0.44) ATMCA12CA1CA7CA14
SCHEMBL1824708 0.89 ADRB3 (0.41) ATMCA1CA2ADRB3KMT2A
SCHEMBL1823858 0.89 ATM (0.43) ATMCA12CA1CA7CA14
SCHEMBL1823133 0.86 P2RX7 (0.46) ATMCA12CA1CA7CA14
SCHEMBL1826618 0.86 SMN1; SMN2 (0.44) ADRB3
SCHEMBL1827075 0.86 TSHR (0.41) ATMCA1CA2ADRB3KMT2A
SCHEMBL1825923 0.86 CA1 (0.43) CA12CA1CA2ADRB3BCHE
SCHEMBL1822326 0.84 ATM (0.50) ATMCA12CA1CA7CA14
SCHEMBL1823006 0.84 SYK (0.50) ATMCA12CA1CA2CA9
SCHEMBL3576947 0.83 CA12 (0.43) ATMCA12CA1CA7CA14

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 ATM 4601/4885CA12 1498/4885CA1 1603/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ATM 4386/4885CA12 670/4885CA1 1728/4885

“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.