SCHEMBL1823736

SCHEMBL1823736

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.42
FAAH O00519 1/20 0.41
MMP13 P45452 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP1 P29466 1/20 0.40
TP53 P04637 1/20 0.39
GFER P55789 1/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
HTT P42858 1/20 0.39
P2RX7 Q99572 2/20 0.39
ADAM10 O14672 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL1825005 0.94 HSD17B10 (0.46) CA1FAAHMMP13SMN1; SMN2CASP1
SCHEMBL1823700 0.94 CA1 (0.43) CA1FAAHMMP13CASP1CA2
SCHEMBL1825110 0.93 P2RX7 (0.46) CA1MMP13LMNAP2RX7
SCHEMBL1825989 0.91 CA1 (0.45) CA1MMP13CA2MMP2MMP9
SCHEMBL1824628 0.91 MTNR1A (0.48) CA1FAAHMMP13LMNASMN1; SMN2
SCHEMBL1825084 0.90 SYK (0.46) CA1FAAHP2RX7CTSS
SCHEMBL1824945 0.90 SYK (0.48) CA1FAAHMMP13CA12P2RX7
SCHEMBL1823531 0.90 P2RX7 (0.45) CA1LMNAP2RX7
SCHEMBL1822907 0.88 CA1 (0.43) CA1FAAHLMNASMN1; SMN2CA2
SCHEMBL1824186 0.88 P2RX7 (0.46) CA1LMNATP53CA2P2RX7

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 CA1 1603/4885FAAH 2017/4885MMP13 4589/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA1 1728/4885FAAH 1771/4885MMP13 4114/4885

“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.