SCHEMBL1821753

SCHEMBL1821753

Cc1ccc(S(=O)(=O)Oc2ccc(CC(CNCc3ccccc3)CC(=O)OC(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.44
ENPP1 P22413 1/20 0.42
ENPP2 Q13822 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
CNR2 P34972 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL1826818 0.94 ADAMTS4 (0.40) P2RX7ENPP1ENPP2ALDH1A1KDM4E
SCHEMBL1828894 0.92 P2RX7 (0.46) P2RX7ENPP1ENPP2ALDH1A1LMNA
SCHEMBL1825493 0.90 P2RX7 (0.46) P2RX7ENPP1ALDH1A1LMNAKDM4E
SCHEMBL1826808 0.89 P2RX7 (0.51) P2RX7LMNA
SCHEMBL1823728 0.88 P2RX7 (0.51) P2RX7ENPP1KDM4EKDM4A
SCHEMBL1823164 0.86 TSHR (0.40) PPARG
SCHEMBL1823555 0.86 ENPP2 (0.41) P2RX7ENPP1ENPP2ALDH1A1LMNA
SCHEMBL1823415 0.86 P2RX7 (0.53) P2RX7LMNA
SCHEMBL1823679 0.85 KDM4E (0.41) P2RX7ENPP1ENPP2ALDH1A1KDM4E
SCHEMBL1824214 0.85 P2RX7 (0.47) P2RX7ENPP1ENPP2ALDH1A1LMNA

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 3768/4885ENPP2 3832/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885ENPP1 2849/4885ENPP2 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.