SCHEMBL1825828

SCHEMBL1825828

CCOC(=O)C(c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(N)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 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
SCHEMBL1827081 0.95 P2RX7 (0.48) P2RX7ALDH1A1LMNAMAPT
SCHEMBL1824622 0.94 TDP1 (0.43) P2RX7SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL1824021 0.92 P2RX7 (0.50) P2RX7ALDH1A1LMNAMAPT
SCHEMBL1828037 0.90 CA1 (0.43) P2RX7SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL1825009 0.90 SMN1; SMN2 (0.42) P2RX7SMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL1826958 0.89 PPARG (0.45) ALDH1A1LMNAL3MBTL1CA1CA2
SCHEMBL1825196 0.88 CA1 (0.40) P2RX7SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL1823799 0.88 LMNA (0.40) P2RX7SMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL1823129 0.88 P2RX7 (0.47) P2RX7SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL3570720 0.88 P2RX7 (0.47) P2RX7SMN1; SMN2ALDH1A1CA1CA2

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 P2RX7 3606/4885SMN1; SMN2 2274/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885SMN1; SMN2 3216/4885ALDH1A1 1440/4885

“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.