SCHEMBL3566824

SCHEMBL3566824

COC(NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.44
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
EGFR P00533 1/20 0.43
ENPP2 Q13822 4/20 0.42
ENPP1 P22413 4/20 0.42
ENPP3 O14638 3/20 0.42
PPARG P37231 1/20 0.41
RECQL P46063 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MMP13 P45452 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1828237 0.90 MMP13 (0.43) P2RX7ALDH1A1EGFRENPP2ENPP1
SCHEMBL1823208 0.89 P2RX7 (0.43) P2RX7ALDH1A1KMT2AMEN1MAPT
SCHEMBL1826243 0.86 CNR1 (0.46) P2RX7ALDH1A1KMT2AMEN1MAPT
SCHEMBL1823084 0.86 P2RX7 (0.45) P2RX7ALDH1A1KMT2AMEN1MAPT
SCHEMBL13345184 0.85 P2RX7 (0.45) P2RX7ALDH1A1KMT2AMEN1MAPT
SCHEMBL1825145 0.85 P2RX7 (0.45) P2RX7ALDH1A1KMT2AMEN1MAPT
SCHEMBL1823302 0.84 P2RX7 (0.46) P2RX7ALDH1A1KMT2AMEN1MAPT
SCHEMBL1823199 0.84 P2RX7 (0.46) P2RX7ALDH1A1KMT2AMEN1MAPT
SCHEMBL1822763 0.84 P2RX7 (0.55) P2RX7ALDH1A1TSHRMMP13
SCHEMBL1826175 0.83 P2RX7 (0.45) P2RX7ALDH1A1KMT2AMEN1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US 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 3606/4885ALDH1A1 1099/4885KMT2A 1068/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885ALDH1A1 1440/4885KMT2A 1084/4885

“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.