SCHEMBL1827989

SCHEMBL1827989

CCOC(=O)C(CNC(C)=O)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.45
MTNR1B P49286 8/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADRB3 P13945 1/20 0.40
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
ATM Q13315 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FAAH O00519 1/20 0.38
CASR P41180 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL1826753 0.93 GPR17 (0.42) MTNR1AMTNR1BCA9CA2GAA
SCHEMBL3577317 0.91 MTNR1A (0.49) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL1824628 0.90 MTNR1A (0.48) MTNR1AMTNR1BSMN1; SMN2RAB9AADRB3
SCHEMBL1823643 0.88 MTNR1A (0.44) MTNR1AMTNR1BADRB3TDP1FAAH
SCHEMBL1824335 0.88 SMN1; SMN2 (0.44) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL1825655 0.88 MTNR1A (0.43) MTNR1AMTNR1BSMN1; SMN2ADRB3FAAH
SCHEMBL1825005 0.87 HSD17B10 (0.46) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL1826055 0.87 SYK (0.41) SMN1; SMN2NPC1RAB9AADRB3CA12
SCHEMBL1824596 0.87 MTNR1A (0.43) MTNR1AMTNR1BCA12CA9CA1
SCHEMBL1825190 0.86 MTNR1A (0.45) MTNR1AMTNR1BGAA

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 1718/4885SMN1; SMN2 2274/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885SMN1; SMN2 3216/4885

“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.