SCHEMBL1823915

SCHEMBL1823915

CC(C)(C)OC(=O)CC(CNCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
ABCB1 P08183 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
P2RX7 Q99572 8/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADAMTS4 O75173 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KDM4A O75164 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
SCHEMBL1823133 0.94 P2RX7 (0.46) ATMABCB1CA2CA9CA12
SCHEMBL1823211 0.90 ATM (0.46) ATMABCB1CA2CA9CA12
SCHEMBL1823395 0.90 ALDH1A1 (0.40) ATMALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL1824490 0.89 ATM (0.42) ATMABCB1CA2CA9CA12
SCHEMBL1826390 0.87 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL1827651 0.87 ADAMTS4 (0.41) ALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL1825617 0.86 ABCB1 (0.44) ABCB1CA2CA9CA12CA1
SCHEMBL1826419 0.86 MTNR1A (0.42) ABCB1CA2CA9P2RX7ALDH1A1
SCHEMBL1826377 0.86 CA12 (0.41) CA2CA12CA1P2RX7ALDH1A1
SCHEMBL1822355 0.85 ATM (0.48) ATMABCB1CA2CA9CA12

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.