SCHEMBL1825401

SCHEMBL1825401

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.40
BACE1 P56817 1/20 0.35
ENPP2 Q13822 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
ENPP3 O14638 2/20 0.34
ENPP1 P22413 2/20 0.34
DHODH Q02127 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1822320 0.94 BACE1 (0.38) P2RX7BACE1ALDH1A1KMT2A
SCHEMBL1826700 0.92 P2RX7 (0.36) P2RX7BACE1ENPP2ALDH1A1MEN1
SCHEMBL1826387 0.90 ALDH1A1 (0.36) P2RX7ENPP2ALDH1A1MEN1MAPT
SCHEMBL1821643 0.90 ENPP2 (0.38) P2RX7ENPP2ALDH1A1MEN1MAPT
SCHEMBL1825714 0.89 ENPP2 (0.37) P2RX7ENPP2ALDH1A1MEN1MAPT
SCHEMBL1824054 0.88 P2RX7 (0.38) P2RX7BACE1ENPP2ALDH1A1MEN1
SCHEMBL1824912 0.87 P2RX7 (0.37) P2RX7BACE1ENPP2ALDH1A1MEN1
SCHEMBL1824353 0.87 P2RX7 (0.37) P2RX7ENPP2ALDH1A1MEN1MAPT
SCHEMBL1826884 0.87 BACE1 (0.38) BACE1KMT2A
SCHEMBL1829257 0.87 P2RX7 (0.43) P2RX7MAPTPPARGLMNA

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 3606/4885BACE1 985/4885ENPP2 3832/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885BACE1 200/4885ENPP2 3966/4885

“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.