SCHEMBL1823680

SCHEMBL1823680

COC(=O)CC(CN)C(Cc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MMP1 P03956 2/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ENPP3 O14638 3/20 0.39
ENPP1 P22413 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KDM4A O75164 1/20 0.38
ENPP2 Q13822 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 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
SCHEMBL1828896 0.94 P2RX7 (0.45) ALDH1A1SMN1; SMN2ENPP3ENPP1NPC1
SCHEMBL1826820 0.90 TSHR (0.39) ALDH1A1SMN1; SMN2ADAMTS4ENPP3ENPP1
SCHEMBL3579999 0.90 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2ADAMTS4TDP1NPC1
SCHEMBL1822808 0.89 PLA2G1B (0.39) ALDH1A1MMP1MMP2MMP3PDE4A
SCHEMBL1822356 0.89 ABCB1 (0.42) ALDH1A1SMN1; SMN2ADAMTS4TDP1KDM4E
SCHEMBL1823020 0.89 P2RX7 (0.41) TDP1P2RX7
SCHEMBL1823667 0.87 PLA2G1B (0.42) ALDH1A1SMN1; SMN2MMP1ADAMTS4MMP2
SCHEMBL1825495 0.85 P2RX7 (0.44) ALDH1A1SMN1; SMN2ENPP1NPC1RAB9A
SCHEMBL1823396 0.85 LTA4H (0.42) ALDH1A1SMN1; SMN2MMP1ADAMTS4MMP2
SCHEMBL1826809 0.84 P2RX7 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AENPP2

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 ALDH1A1 1099/4885SMN1; SMN2 2274/4885MMP1 4623/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885SMN1; SMN2 3216/4885MMP1 4193/4885

“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.