SCHEMBL1823448

SCHEMBL1823448

CCOC(=O)CC(CNCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
BCHE P06276 3/20 0.40
FAAH O00519 1/20 0.39
F2 P00734 2/20 0.38
PRSS1 P07477 1/20 0.38
ADRB3 P13945 1/20 0.38
PPID Q08752 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL1825021 0.95 F10 (0.42) F10SMN1; SMN2MTNR1AMTNR1BBCHE
SCHEMBL1824635 0.91 BCHE (0.40) SMN1; SMN2MTNR1AMTNR1BBCHEFAAH
SCHEMBL3575908 0.91 BCHE (0.44) F10MTNR1AMTNR1BBCHEFAAH
SCHEMBL1824552 0.90 F10 (0.46) F10SMN1; SMN2MTNR1AMTNR1BBCHE
SCHEMBL1826390 0.89 SMN1; SMN2 (0.43) F10SMN1; SMN2F2PPIDALDH1A1
SCHEMBL1826707 0.89 LMNA (0.44) BCHE
SCHEMBL1823043 0.89 BCHE (0.40) F10MTNR1AMTNR1BBCHEFAAH
SCHEMBL1827260 0.88 FAAH (0.42) SMN1; SMN2MTNR1AMTNR1BBCHEFAAH
SCHEMBL1826084 0.88 BCHE (0.41) F10MTNR1AMTNR1BBCHEF2
SCHEMBL1824490 0.88 ATM (0.42) MTNR1AMTNR1BBCHEFAAHADRB3

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 F10 1460/4885SMN1; SMN2 2274/4885MTNR1A 2715/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 F10 1977/4885SMN1; SMN2 3216/4885MTNR1A 3986/4885

“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.