SCHEMBL1824912

SCHEMBL1824912

Cc1ccc(S(=O)(=O)Oc2ccc(C(C(=O)OCC3c4ccccc4-c4ccccc43)C(N)CC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.37
ENPP2 Q13822 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CASP3 P42574 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
BACE1 P56817 1/20 0.33
ENPP3 O14638 2/20 0.33
ENPP1 P22413 2/20 0.33
DHODH Q02127 1/20 0.33
LMNA P02545 2/20 0.33
VDR P11473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1830926 0.94 CASP3 (0.38) P2RX7CASP3KMT2ABACE1
SCHEMBL1823553 0.91 ENPP2 (0.36) ENPP2ALDH1A1CASP3MAPTMEN1
SCHEMBL1824625 0.91 ALDH1A1 (0.35) ENPP2ALDH1A1CASP3MAPTMEN1
SCHEMBL1826811 0.90 P2RX7 (0.37) P2RX7ENPP2ALDH1A1CASP3MAPT
SCHEMBL1825570 0.89 ENPP2 (0.35) ENPP2ALDH1A1CASP3MAPTMEN1
SCHEMBL1824353 0.89 P2RX7 (0.37) P2RX7ENPP2ALDH1A1CASP3MAPT
SCHEMBL1825275 0.88 CASP3 (0.38) CASP3KMT2ABACE1
SCHEMBL3566267 0.88 LMNA (0.40) P2RX7CASP3MAPTPPARGLMNA
SCHEMBL1825401 0.87 P2RX7 (0.40) P2RX7ENPP2ALDH1A1MAPTMEN1
SCHEMBL1824054 0.86 P2RX7 (0.38) P2RX7ENPP2ALDH1A1CASP3MAPT

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 3606/4885ENPP2 3832/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885ENPP2 3966/4885ALDH1A1 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.