SCHEMBL1821792

SCHEMBL1821792

CCOC(=O)CC(CN)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
FABP5 Q01469 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FABP7 O15540 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ADAMTS4 O75173 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL1822982 0.95 ALDH1A1 (0.35) CASP3ALDH1A1KMT2ACYP1A2MAPT
SCHEMBL3582627 0.92 CASP3 (0.40) CASP3SMN1; SMN2ALDH1A1KMT2ACA1
SCHEMBL1825173 0.91 CASP3 (0.37) CASP3SMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL1827184 0.91 CASP3 (0.37) CASP3KMT2ACA1CA2FABP5
SCHEMBL1827056 0.90 CASP3 (0.38) CASP3SMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL1826538 0.90 CASP3 (0.37) CASP3KMT2ACA1CA2FABP5
SCHEMBL1824616 0.90 CASP3 (0.39) CASP3SMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL1826358 0.89 P2RX7 (0.39) CASP3KMT2AMAPTPPARG
SCHEMBL1824974 0.88 KMT2A (0.36) CASP3SMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL1825102 0.87 CASP3 (0.37) CASP3SMN1; SMN2ALDH1A1KMT2ACA1

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 CASP3 1512/4885SMN1; SMN2 2274/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885SMN1; SMN2 3216/4885ALDH1A1 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.