SCHEMBL1823540

SCHEMBL1823540

CC(C)OC(=O)CC(N)(C(=O)OCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.39
TSHR P16473 1/20 0.38
ADAMTS4 O75173 1/20 0.37
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM4A O75164 1/20 0.37
PTPN1 P18031 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1822068 0.94 P2RX7 (0.45) P2RX7ENPP1
SCHEMBL1826418 0.90 TSHR (0.40) TSHRPTPN1
SCHEMBL1823022 0.90 TDP1 (0.40) P2RX7ENPP3ENPP1PTPN1TDP1
SCHEMBL1825257 0.89 P2RX7 (0.40) P2RX7ENPP3ENPP1KDM4EKDM4A
SCHEMBL1824645 0.88 HSD11B1 (0.42) P2RX7PTPN1TDP1
SCHEMBL1823092 0.87 P2RX7 (0.44) P2RX7ENPP3ENPP1KDM4EKDM4A
SCHEMBL1826248 0.86 ADAMTS4 (0.39) P2RX7TSHRADAMTS4ENPP3ENPP1
SCHEMBL1826680 0.85 LMNA (0.48) P2RX7ENPP1
SCHEMBL1825028 0.83 P2RX7 (0.45) P2RX7ENPP1
SCHEMBL1828226 0.83 P2RX7 (0.47) P2RX7ENPP1

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 3606/4885TSHR 1200/4885ADAMTS4 4799/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885TSHR 2860/4885ADAMTS4 4532/4885

“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.