SCHEMBL1824641

SCHEMBL1824641

O=C(CC(NCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
P2RX7 Q99572 4/20 0.39
CDC25B P30305 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
ENPP3 O14638 2/20 0.38
ENPP1 P22413 2/20 0.38

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
SCHEMBL1826436 0.93 LMNA (0.47) CA12P2RX7ALDH1A1MAPT
SCHEMBL1825772 0.90 ALDH1A1 (0.44) TDP1ALDH1A1SMN1; SMN2ADAMTS4MAPK1
SCHEMBL1823974 0.89 ALDH1A1 (0.42) TDP1ALDH1A1SMN1; SMN2ADAMTS4ENPP3
SCHEMBL1823961 0.88 CA1 (0.44) CA12CA1CA2ACHEALDH1A1
SCHEMBL1823019 0.87 P2RX7 (0.47) CA1CA2ACHEP2RX7
SCHEMBL1823470 0.86 MEN1 (0.43) CA1CA2ACHEP2RX7ALDH1A1
SCHEMBL1823036 0.86 ADAMTS4 (0.42) TDP1ALDH1A1SMN1; SMN2ADAMTS4MAPT
SCHEMBL1827800 0.85 KMT2A (0.45) P2RX7ALDH1A1SMN1; SMN2MAPTENPP1
SCHEMBL1824715 0.85 ABCB1 (0.42) CA12TDP1CA1CA2P2RX7
SCHEMBL1823650 0.84 P2RX7 (0.44) CA12CA1P2RX7

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 CA12 1498/4885TDP1 4543/4885CA1 1603/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA12 670/4885TDP1 4702/4885CA1 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.