SCHEMBL1827164

SCHEMBL1827164

COC(=O)CC(c1cccc(OS(C)(=O)=O)c1)C(N)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNA5 P22460 1/20 0.41
FAAH O00519 1/20 0.40
SLC7A5 Q01650 1/20 0.40
BCHE P06276 7/20 0.39
ACHE P22303 7/20 0.39
LTA4H P09960 1/20 0.39
ADRB3 P13945 1/20 0.38
MEN1 O00255 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
SCHEMBL1823346 0.90 BCHE (0.40) MTNR1AMTNR1BKMT2ASMN1; SMN2FAAH
SCHEMBL1827195 0.90 SLC15A1 (0.46) MTNR1AMTNR1BKMT2ASMN1; SMN2FAAH
SCHEMBL3575911 0.90 MTNR1A (0.41) MTNR1AMTNR1BKMT2ASMN1; SMN2KCNA5
SCHEMBL1824554 0.90 F10 (0.42) MTNR1AMTNR1BKMT2ASMN1; SMN2FAAH
SCHEMBL1823860 0.89 CA2 (0.41) MTNR1AMTNR1BKMT2ASMN1; SMN2FAAH
SCHEMBL1824709 0.88 LTA4H (0.43) KMT2AKCNA5ACHELTA4HMEN1
SCHEMBL1826085 0.86 PLAU (0.41) MTNR1AMTNR1BKMT2ASMN1; SMN2
SCHEMBL1825670 0.85 KMT2A (0.43) KMT2ASMN1; SMN2KCNA5FAAHACHE
SCHEMBL1826340 0.84 LTA4H (0.46) MTNR1AMTNR1BKMT2ASMN1; SMN2FAAH
SCHEMBL1823045 0.80 BCHE (0.39) MTNR1AMTNR1BKMT2ASMN1; SMN2FAAH

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 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.