SCHEMBL1825449

SCHEMBL1825449

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ENPP1 P22413 4/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 1/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 2/20 0.42
TP53 P04637 1/20 0.42
ENPP3 O14638 3/20 0.42
ENPP2 Q13822 3/20 0.42
LMNA P02545 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1826008 0.91 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL1824494 0.91 ALDH1A1 (0.44) KMT2AMEN1ENPP1ALDH1A1HTT
SCHEMBL1828056 0.88 LMNA (0.50) ALDH1A1MAPTPPARGENPP2LMNA
SCHEMBL1824482 0.87 ALDH1A1 (0.49) KMT2AMEN1ENPP1ALDH1A1HTT
SCHEMBL1826029 0.86 P2RX7 (0.44) KMT2AMEN1ENPP1ALDH1A1HTT
SCHEMBL1823656 0.85 THRB (0.44) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL1825027 0.84 P2RX7 (0.54) LMNA
SCHEMBL1827612 0.83 ENPP1 (0.46) KMT2AMEN1ENPP1ALDH1A1HTT
SCHEMBL1825025 0.83 ENPP1 (0.47) ENPP1ALDH1A1PPARGKDM4EENPP3
SCHEMBL1825011 0.83 ENPP1 (0.42) KMT2AMEN1ENPP1ALDH1A1HTT

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 KMT2A 1068/4885MEN1 421/4885ENPP1 3768/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KMT2A 1084/4885MEN1 183/4885ENPP1 2849/4885

“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.