SCHEMBL3570140

SCHEMBL3570140

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.55
MTNR1B P49286 6/20 0.55
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB3 P13945 1/20 0.38
MMP9 P14780 1/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
MAOB P27338 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL1822874 0.92 MTNR1A (0.45) MTNR1AMTNR1BKMT2ASMN1; SMN2FAAH
SCHEMBL1827258 0.90 MTNR1A (0.53) MTNR1AMTNR1BKMT2ARAB9ASMN1; SMN2
SCHEMBL1826195 0.89 MTNR1A (0.48) MTNR1AMTNR1BKMT2AMMP9LMNA
SCHEMBL1827193 0.88 BCHE (0.43) MTNR1AMTNR1BKMT2ASMN1; SMN2FAAH
SCHEMBL3572876 0.88 SYK (0.50) MTNR1AMTNR1BKMT2ASMN1; SMN2FAAH
SCHEMBL1825194 0.88 MTNR1A (0.48) MTNR1AMTNR1BF10
SCHEMBL3578422 0.87 MTNR1A (0.44) MTNR1AMTNR1BKMT2APPARGF10
SCHEMBL1825669 0.87 MTNR1A (0.47) MTNR1AMTNR1BSMN1; SMN2PPARG
SCHEMBL1827124 0.87 MTNR1A (0.50) MTNR1AMTNR1BKMT2ALMNA
SCHEMBL1823631 0.86 MTNR1A (0.54) MTNR1AMTNR1BF10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US 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 MTNR1A 2715/4885MTNR1B 1718/4885KMT2A 1068/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885KMT2A 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.