SCHEMBL1822355

SCHEMBL1822355

CC(C)(C)OC(=O)CC(CNCc1ccccc1)Cc1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
ABCB1 P08183 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
P2RX7 Q99572 8/20 0.44
KDM4E B2RXH2 1/20 0.43
KDM4A O75164 1/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
BCL2 P10415 1/20 0.39
BCHE P06276 1/20 0.38
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1823728 0.94 P2RX7 (0.51) ATMABCB1CA2CA9P2RX7
SCHEMBL1822326 0.90 ATM (0.50) ATMABCB1CA2CA9P2RX7
SCHEMBL1823679 0.90 KDM4E (0.41) ATMCA2CA9P2RX7KDM4E
SCHEMBL1825966 0.87 ABCB1 (0.47) ABCB1CA2CA9P2RX7KDM4E
SCHEMBL1826818 0.87 ADAMTS4 (0.40) ATMCA2CA9P2RX7KDM4E
SCHEMBL1823644 0.87 ABCB1 (0.52) ATMABCB1CA2CA9P2RX7
SCHEMBL3579998 0.87 SMN1; SMN2 (0.45) ATMP2RX7KDM4EKDM4AALDH1A1
SCHEMBL1823018 0.86 P2RX7 (0.43) P2RX7CA12CA1
SCHEMBL1823915 0.85 ATM (0.44) ATMABCB1CA2CA9P2RX7
SCHEMBL1822700 0.85 P2RX7 (0.53) ABCB1CA2CA9P2RX7BCL2

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 4601/4885ABCB1 1436/4885CA2 730/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ATM 4386/4885ABCB1 209/4885CA2 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.