SCHEMBL1822271

SCHEMBL1822271

CCOC(=O)CC(Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.47
ENPP1 P22413 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CTSL P07711 1/20 0.41
PPARG P37231 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM4A O75164 1/20 0.41
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL1823803 0.95 ALDH1A1 (0.43) P2RX7ALDH1A1LMNAPPARGKDM4E
SCHEMBL3575197 0.93 P2RX7 (0.53) P2RX7LMNA
SCHEMBL1822377 0.92 P2RX7 (0.47) P2RX7ENPP1ALDH1A1LMNAPPARG
SCHEMBL1823875 0.89 P2RX7 (0.45) P2RX7ENPP1ALDH1A1LMNAPPARG
SCHEMBL1826648 0.89 P2RX7 (0.52) P2RX7ENPP1ATMKDM4EKDM4A
SCHEMBL1827455 0.87 PPARG (0.44) PPARG
SCHEMBL1824172 0.87 P2RX7 (0.46) P2RX7ENPP1ALDH1A1LMNAATM
SCHEMBL1823650 0.86 P2RX7 (0.44) P2RX7
SCHEMBL3571444 0.86 P2RX7 (0.60) P2RX7
SCHEMBL1823666 0.86 KDM4E (0.42) P2RX7ENPP1ALDH1A1KDM4EKDM4A

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 3606/4885ENPP1 3768/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885ENPP1 2849/4885ALDH1A1 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.