SCHEMBL1828010

SCHEMBL1828010

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
P2RX7 Q99572 8/20 0.36
ENPP1 P22413 4/20 0.35
ENPP3 O14638 3/20 0.35
ENPP2 Q13822 1/20 0.35
MAPT P10636 2/20 0.34
EGFR P00533 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1822866 0.93 TDP1 (0.40) ADAMTS4TDP1SMN1; SMN2ALDH1A1P2RX7
SCHEMBL1828033 0.91 P2RX7 (0.39) SMN1; SMN2ALDH1A1P2RX7ENPP1ENPP3
SCHEMBL1824962 0.90 ALDH1A1 (0.39) ADAMTS4TDP1SMN1; SMN2ALDH1A1P2RX7
SCHEMBL3574219 0.89 SMN1; SMN2 (0.39) ADAMTS4TDP1SMN1; SMN2ALDH1A1P2RX7
SCHEMBL1826890 0.87 P2RX7 (0.44) ADAMTS4TDP1SMN1; SMN2ALDH1A1P2RX7
SCHEMBL1826527 0.86 ALDH1A1 (0.34) TDP1SMN1; SMN2ALDH1A1
SCHEMBL1824541 0.86 CA1 (0.39) ADAMTS4TDP1SMN1; SMN2ALDH1A1P2RX7
SCHEMBL3578780 0.85 ADAMTS4 (0.36) ADAMTS4TDP1SMN1; SMN2ALDH1A1P2RX7
SCHEMBL1827703 0.85 P2RX7 (0.44) ADAMTS4TDP1SMN1; SMN2ALDH1A1P2RX7
SCHEMBL1825267 0.85 SMN1; SMN2 (0.41) ADAMTS4TDP1SMN1; SMN2ALDH1A1P2RX7

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 ADAMTS4 4799/4885TDP1 4543/4885SMN1; SMN2 2274/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ADAMTS4 4532/4885TDP1 4702/4885SMN1; SMN2 3216/4885

“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.