SCHEMBL1822326

SCHEMBL1822326

CC(C)(C)OC(=O)CC(CNCc1ccccc1)Cc1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ABCB1 P08183 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
BCHE P06276 2/20 0.39
BACE1 P56817 2/20 0.39
PPARG P37231 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
PPARA Q07869 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 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
SCHEMBL1822355 0.90 ATM (0.48) ATMCA2CA9ABCB1CA12
SCHEMBL1822807 0.89 MAOB (0.41) ATMCA9CA12CA7CA14
SCHEMBL1823728 0.87 P2RX7 (0.51) ATMCA2CA9ABCB1P2RX7
SCHEMBL1823164 0.87 TSHR (0.40) ATMBCHEPPARGADRB2ADRB1
SCHEMBL1824989 0.87 SMN1; SMN2 (0.46) ATMPPARGADRB2ADRB1ADRB3
SCHEMBL1824675 0.87 PPARG (0.48) ATMABCB1CA12CA1BCHE
SCHEMBL1823211 0.84 ATM (0.46) ATMCA2CA9ABCB1CA12
SCHEMBL1826056 0.84 SYK (0.49) CA2CA9ABCB1PPARGPPARA
SCHEMBL1827743 0.83 ATM (0.52) ATMCA2CA9CA12CA1
SCHEMBL1827398 0.83 CA2 (0.47) ATMCA2CA9ABCB1CA12

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 4601/4885CA2 730/4885CA9 776/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ATM 4386/4885CA2 349/4885CA9 308/4885

“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.