SCHEMBL1823974

SCHEMBL1823974

COC(=O)CC(NCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADAMTS4 O75173 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
ENPP3 O14638 5/20 0.39
ENPP1 P22413 5/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ENPP2 Q13822 3/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HTT P42858 1/20 0.38
CNR2 P34972 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
SCHEMBL1822734 0.94 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ENPP1NPC1RAB9A
SCHEMBL1825772 0.90 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ADAMTS4TDP1NPC1
SCHEMBL1823036 0.90 ADAMTS4 (0.42) ALDH1A1SMN1; SMN2ADAMTS4TDP1PLA2G1B
SCHEMBL1824715 0.89 ABCB1 (0.42) ALDH1A1SMN1; SMN2ADAMTS4TDP1ENPP3
SCHEMBL1824641 0.89 CA12 (0.40) ALDH1A1SMN1; SMN2ADAMTS4TDP1ENPP3
SCHEMBL1823743 0.88 PLA2G1B (0.42) ALDH1A1PLA2G1BATG4BMEN1POLB
SCHEMBL1827800 0.85 KMT2A (0.45) ALDH1A1SMN1; SMN2ENPP1NPC1RAB9A
SCHEMBL1826436 0.84 LMNA (0.47) ALDH1A1
SCHEMBL1825468 0.84 ENPP2 (0.42) ALDH1A1SMN1; SMN2ADAMTS4ENPP3ENPP1
SCHEMBL4852606 0.84 PLA2G1B (0.55) ALDH1A1TDP1PLA2G1BATG4BNPC1

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 2274/4885ADAMTS4 4799/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885SMN1; SMN2 3216/4885ADAMTS4 4532/4885

“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.