SCHEMBL1821749

SCHEMBL1821749

CCOC(=O)C(CNC(C)=O)Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.47
P2RX7 Q99572 6/20 0.43
EPHX2 P34913 1/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
PPARG P37231 2/20 0.42
KDM4E B2RXH2 1/20 0.41
KDM4A O75164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ENPP3 O14638 3/20 0.41
ENPP2 Q13822 3/20 0.41
MEN1 O00255 1/20 0.40
PPARA Q07869 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
SCHEMBL1826399 0.92 ENPP1 (0.46) ENPP1P2RX7KMT2APPARGKDM4E
SCHEMBL1826437 0.91 PPARG (0.47) P2RX7EPHX2PPARGKDM4EKDM4A
SCHEMBL1828731 0.89 P2RX7 (0.53) P2RX7LMNA
SCHEMBL1826974 0.87 P2RX7 (0.49) ENPP1P2RX7EPHX2PPARGKDM4E
SCHEMBL1826929 0.85 PPARG (0.48) EPHX2PPARGPPARA
SCHEMBL1827192 0.85 P2RX7 (0.56) P2RX7
SCHEMBL1826553 0.84 ENPP1 (0.45) ENPP1P2RX7KMT2APPARGKDM4E
SCHEMBL1828166 0.83 P2RX7 (0.48) ENPP1P2RX7EPHX2PPARGALDH1A1
SCHEMBL1823711 0.82 P2RX7 (0.50) ENPP1P2RX7PPARGKDM4EKDM4A
SCHEMBL3580489 0.82 ENPP1 (0.44) ENPP1KMT2AGAAPPARGKDM4E

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 ENPP1 3768/4885P2RX7 3606/4885EPHX2 793/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ENPP1 2849/4885P2RX7 2747/4885EPHX2 671/4885

“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.