SCHEMBL3574287

SCHEMBL3574287

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.40
SLC15A1 P46059 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
TSHR P16473 1/20 0.38
ADAMTS4 O75173 1/20 0.37
ENPP3 O14638 2/20 0.37
ENPP1 P22413 2/20 0.37
ENPP2 Q13822 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 1/20 0.35
LTA4H P09960 1/20 0.35
LAP3 P28838 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL1824830 0.94 P2RX7 (0.46) P2RX7ENPP1ENPP2ALDH1A1SMN1; SMN2
SCHEMBL1825144 0.91 SLC15A1 (0.42) P2RX7SLC15A1CA1CA2ACHE
SCHEMBL1824865 0.90 KCNA5 (0.42) P2RX7SLC15A1CA1CA2ACHE
SCHEMBL1824705 0.90 CA1 (0.41) SLC15A1CA1CA2ACHETSHR
SCHEMBL1823848 0.90 SMN1; SMN2 (0.41) SLC15A1CA1TSHRALOX5ALDH1A1
SCHEMBL1824698 0.89 P2RX7 (0.42) P2RX7SLC15A1ALDH1A1SMN1; SMN2
SCHEMBL1825854 0.87 P2RX7 (0.43) P2RX7SLC15A1CA1CA2ACHE
SCHEMBL1823003 0.86 CA1 (0.38) P2RX7SLC15A1CA1CA2ACHE
SCHEMBL1826448 0.86 P2RX7 (0.49) P2RX7SLC15A1ENPP2ALDH1A1SMN1; SMN2
SCHEMBL1825584 0.86 ADAMTS4 (0.37) P2RX7ADAMTS4ENPP3ENPP1ENPP2

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 3606/4885SLC15A1 3789/4885CA1 1603/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885SLC15A1 4652/4885CA1 1728/4885

“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.