SCHEMBL1824974

SCHEMBL1824974

COC(=O)CC(CN)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ENPP2 Q13822 4/20 0.35
CASP3 P42574 3/20 0.35
ENPP1 P22413 4/20 0.35
ENPP3 O14638 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
PPARG P37231 1/20 0.34
DHODH Q02127 1/20 0.33
BMP1 P13497 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL3582627 0.94 CASP3 (0.40) KMT2ACASP3ENPP1ENPP3ALDH1A1
SCHEMBL1822982 0.93 ALDH1A1 (0.35) KMT2AENPP2CASP3ENPP1ENPP3
SCHEMBL1827393 0.92 ENPP2 (0.35) KMT2AENPP2CASP3ENPP1ENPP3
SCHEMBL1826811 0.91 P2RX7 (0.37) KMT2AENPP2CASP3ENPP1ENPP3
SCHEMBL1826358 0.90 P2RX7 (0.39) KMT2ACASP3LMNAMAPTPPARG
SCHEMBL1823553 0.90 ENPP2 (0.36) KMT2AENPP2CASP3ENPP1ENPP3
SCHEMBL1821792 0.88 CASP3 (0.38) KMT2ACASP3ALDH1A1MAPTNPC1
SCHEMBL1824184 0.88 CASP3 (0.40) KMT2ACASP3
SCHEMBL1825601 0.87 KMT2A (0.37) KMT2AENPP2CASP3ENPP1ENPP3
SCHEMBL1825173 0.86 CASP3 (0.37) KMT2ACASP3ENPP1ENPP3ALDH1A1

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 1068/4885ENPP2 3832/4885CASP3 1512/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KMT2A 1084/4885ENPP2 3966/4885CASP3 854/4885

“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.