SCHEMBL1827612

SCHEMBL1827612

CCOC(=O)C(NC(C)=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.46
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
PPARG P37231 1/20 0.45
ENPP2 Q13822 4/20 0.44
ENPP3 O14638 3/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL1825082 0.91 SMN1; SMN2 (0.46) ENPP1ALDH1A1MEN1KMT2AENPP2
SCHEMBL1824181 0.90 KMT2A (0.46) ENPP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3568232 0.87 P2RX7 (0.51) ALDH1A1MAPTPPARGENPP2LMNA
SCHEMBL1825216 0.86 KMT2A (0.47) ENPP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3568238 0.85 P2RX7 (0.46) ENPP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1826234 0.84 ACACB (0.44) PPARGCA12CA1CA2CA9
SCHEMBL1824482 0.83 ALDH1A1 (0.49) ENPP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1826926 0.83 P2RX7 (0.56)
SCHEMBL1825449 0.83 KMT2A (0.46) ENPP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3580489 0.81 ENPP1 (0.44) ENPP1ALDH1A1MEN1KMT2AMAPT

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 3768/4885ALDH1A1 1099/4885MEN1 421/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ENPP1 2849/4885ALDH1A1 1440/4885MEN1 183/4885

“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.