SCHEMBL1829006

SCHEMBL1829006

O=C(OCc1ccccc1)[C@H](Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.50
ITGA4 P13612 1/20 0.50
ITGB7 P26010 1/20 0.50
KDM4E B2RXH2 1/20 0.45
KDM4A O75164 1/20 0.45

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
SCHEMBL1829005 1.00 P2RX7 (0.50) P2RX7ITGA4ITGB7KDM4EKDM4A
SCHEMBL1825375 0.93 P2RX7 (0.59) P2RX7ITGA4ITGB7
SCHEMBL1825374 0.93 P2RX7 (0.59) P2RX7ITGA4ITGB7
SCHEMBL2835487 0.90 P2RX7 (0.47) P2RX7KDM4EKDM4A
SCHEMBL2835488 0.90 P2RX7 (0.47) P2RX7KDM4EKDM4A
SCHEMBL1825842 0.90 CA12 (0.52) P2RX7ITGA4ITGB7KDM4EKDM4A
SCHEMBL1825841 0.90 CA12 (0.52) P2RX7ITGA4ITGB7KDM4EKDM4A
SCHEMBL1822870 0.89 ITGA4 (0.48) P2RX7ITGA4ITGB7
SCHEMBL1825512 0.87 ITGA4 (0.51) P2RX7ITGA4ITGB7
SCHEMBL1825511 0.87 ITGA4 (0.51) P2RX7ITGA4ITGB7

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 3606/4885ITGA4 3149/4885ITGB7 2859/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885ITGA4 4469/4885ITGB7 3850/4885

“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.