SCHEMBL1822097

SCHEMBL1822097

CCC(C)C(=O)OCc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.50
P2RX7 Q99572 8/20 0.46
PPARG P37231 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ENPP3 O14638 3/20 0.43
ENPP2 Q13822 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL1821229 0.89 TDP1 (0.46) ENPP1P2RX7PPARGALDH1A1ENPP3
SCHEMBL12116549 0.84 ALDH1A1 (0.45) ALDH1A1KMT2ACA1CA2
SCHEMBL1827982 0.83 ENPP1 (0.53) ENPP1P2RX7PPARGALDH1A1MEN1
SCHEMBL1828424 0.82 ALDH1A1 (0.51) ENPP1P2RX7PPARGALDH1A1MEN1
SCHEMBL1826199 0.81 PPARG (0.52) PPARGALDH1A1CA1CA2
SCHEMBL1825308 0.80 PSEN1 (0.52) P2RX7PPARGALDH1A1MEN1KMT2A
SCHEMBL1826864 0.78 ENPP1 (0.47) ENPP1P2RX7PPARGALDH1A1MEN1
SCHEMBL1822255 0.77 ENPP1 (0.47) ENPP1P2RX7PPARGALDH1A1MEN1
SCHEMBL8499355 0.76 ENPP1 (0.55) ENPP1PPARGALDH1A1MEN1KMT2A
SCHEMBL15468472 0.76 ENPP1 (0.55) ENPP1PPARGALDH1A1MEN1KMT2A

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 3606/4885PPARG 3864/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ENPP1 2849/4885P2RX7 2747/4885PPARG 2131/4885

“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.