SCHEMBL1823739

SCHEMBL1823739

NC(C(=O)OCc1ccccc1)C(C(=O)OCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 2/20 0.44
F2 P00734 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
LTA4H P09960 1/20 0.37
LAP3 P28838 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
P2RX7 Q99572 2/20 0.37
ADRB3 P13945 1/20 0.36

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
SCHEMBL1825009 0.95 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AFAAHF2ALDH1A1
SCHEMBL1823701 0.94 FAAH (0.43) SMN1; SMN2KMT2AFAAHF2LTA4H
SCHEMBL1825112 0.93 P2RX7 (0.45) SMN1; SMN2KMT2AP2RX7
SCHEMBL1825992 0.92 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AFAAHF2ALDH1A1
SCHEMBL1825086 0.91 P2RX7 (0.42) SMN1; SMN2KMT2AFAAHF2SPHK2
SCHEMBL1824948 0.91 P2RX7 (0.42) SMN1; SMN2KMT2AFAAHF2SPHK2
SCHEMBL1823534 0.90 P2RX7 (0.43) SMN1; SMN2KMT2AP2RX7
SCHEMBL1825135 0.89 LTA4H (0.46) SMN1; SMN2KMT2AFAAHF2ALDH1A1
SCHEMBL1826979 0.89 KMT2A (0.37) SMN1; SMN2KMT2AFAAHF2ALDH1A1
SCHEMBL1824622 0.88 TDP1 (0.43) SMN1; SMN2KMT2AALDH1A1LTA4HLAP3

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 SMN1; SMN2 2274/4885KMT2A 1068/4885FAAH 2017/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SMN1; SMN2 3216/4885KMT2A 1084/4885FAAH 1771/4885

“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.