SCHEMBL1822982

SCHEMBL1822982

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 5/20 0.34
ENPP2 Q13822 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
CASP3 P42574 2/20 0.34
CYP1A2 P05177 1/20 0.34
HTT P42858 1/20 0.34
PPARG P37231 1/20 0.34
HPGD P15428 2/20 0.34
ENPP1 P22413 3/20 0.33
ENPP3 O14638 2/20 0.33
DHODH Q02127 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL1821792 0.95 CASP3 (0.38) ALDH1A1KMT2AMAPTCASP3CYP1A2
SCHEMBL1824974 0.93 KMT2A (0.36) ALDH1A1LMNAKMT2AENPP2MAPT
SCHEMBL1826358 0.92 P2RX7 (0.39) LMNAKMT2AMAPTCASP3PPARG
SCHEMBL1827393 0.92 ENPP2 (0.35) ALDH1A1LMNAKMT2AENPP2MAPT
SCHEMBL1826811 0.91 P2RX7 (0.37) ALDH1A1LMNAKMT2AENPP2MAPT
SCHEMBL1824625 0.90 ALDH1A1 (0.35) ALDH1A1LMNAKMT2AENPP2MAPT
SCHEMBL1827056 0.89 CASP3 (0.38) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL3582627 0.87 CASP3 (0.40) ALDH1A1KMT2ACASP3ENPP1ENPP3
SCHEMBL1826468 0.87 KMT2A (0.35) ALDH1A1LMNAKMT2AENPP2MAPT
SCHEMBL1827184 0.86 CASP3 (0.37) KMT2ACASP3

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 ALDH1A1 1099/4885LMNA 1802/4885KMT2A 1068/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885LMNA 1130/4885KMT2A 1084/4885

“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.