SCHEMBL1828480

SCHEMBL1828480

Cc1ccc(S(=O)(=O)Oc2ccc(C(C(=O)OC(C)(C)C)C(CN)CC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.39
P2RX7 Q99572 2/20 0.39
ENPP1 P22413 4/20 0.36
ENPP2 Q13822 4/20 0.36
ENPP3 O14638 3/20 0.36
RECQL P46063 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
LMNA P02545 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL1824739 0.94 P2RX7 (0.38) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1822758 0.94 P2RX7 (0.40) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1827965 0.92 P2RX7 (0.37) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1823647 0.91 ABCB1 (0.38) ALDH1A1MAPTP2RX7ENPP1ENPP3
SCHEMBL1824621 0.89 P2RX7 (0.49) MAPTP2RX7LMNA
SCHEMBL1826577 0.89 P2RX7 (0.49) MAPTP2RX7LMNA
SCHEMBL1825450 0.88 MEN1 (0.40) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1824647 0.86 SMN1; SMN2 (0.39) ALDH1A1MAPTPPARGP2RX7
SCHEMBL1826811 0.85 P2RX7 (0.37) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1825589 0.85 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTHTT

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 421/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KMT2A 1084/4885MEN1 183/4885ALDH1A1 1440/4885

“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.