SCHEMBL1824865

SCHEMBL1824865

COC(=O)CC(c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(N)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
P2RX7 Q99572 6/20 0.41
ABCB1 P08183 2/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADAMTS4 O75173 1/20 0.39
SLC15A1 P46059 1/20 0.38
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL1826182 0.94 P2RX7 (0.48) P2RX7ALDH1A1SMN1; SMN2ENPP1NPC1
SCHEMBL1825144 0.93 SLC15A1 (0.42) CA1CA2ACHEP2RX7ALDH1A1
SCHEMBL1824698 0.91 P2RX7 (0.42) P2RX7ALDH1A1SMN1; SMN2SLC15A1NPC1
SCHEMBL3574287 0.90 P2RX7 (0.40) CA1CA2ACHEP2RX7ALDH1A1
SCHEMBL1824254 0.90 CA1 (0.45) KCNA5CA1CA2ACHEABCB1
SCHEMBL1825563 0.89 KMT2A (0.42) KCNA5ABCB1SMN1; SMN2SLC15A1
SCHEMBL1825854 0.89 P2RX7 (0.43) CA1CA2ACHEP2RX7ABCB1
SCHEMBL1826448 0.88 P2RX7 (0.49) P2RX7ALDH1A1SMN1; SMN2SLC15A1NPC1
SCHEMBL1828893 0.86 P2RX7 (0.47) P2RX7ALDH1A1SMN1; SMN2ENPP1NPC1
SCHEMBL1825305 0.86 KCNA5 (0.42) KCNA5P2RX7ABCB1ALDH1A1SMN1; SMN2

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 KCNA5 1251/4885CA1 1603/4885CA2 730/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KCNA5 1899/4885CA1 1728/4885CA2 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.