SCHEMBL1827708

SCHEMBL1827708

CC(=O)NCC(C(=O)OCc1ccccc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.45
CA1 P00915 5/20 0.45
ACHE P22303 3/20 0.45
PPARG P37231 4/20 0.43
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
PPARA Q07869 4/20 0.41
ALDH1A1 P00352 1/20 0.40
ACACB O00763 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
MMP13 P45452 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 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
SCHEMBL1829258 0.91 CA1 (0.50) CA2CA1ACHEPPARGCA12
SCHEMBL1824569 0.89 CA1 (0.41) CA2CA1ACHEMTNR1AMTNR1B
SCHEMBL1823944 0.88 MTNR1A (0.50) CA2CA1ACHEPPARGMTNR1A
SCHEMBL1827046 0.86 CA2 (0.45) CA2CA1ACHEPPARGPPARA
SCHEMBL1826635 0.86 SYK (0.55) CA2CA1ACHEPPARGPPARA
SCHEMBL1826954 0.86 CA1 (0.47) CA2CA1ACHEPPARGPPARA
SCHEMBL1826006 0.85 CA1 (0.52) CA2CA1ACHEPPARGCA12
SCHEMBL1826003 0.85 P2RX7 (0.48) PPARGALDH1A1
SCHEMBL1823765 0.84 STS (0.44) CA2CA1PPARGMTNR1AMTNR1B
SCHEMBL1822310 0.84 MTNR1A (0.46) CA2CA1PPARGMTNR1AMTNR1B

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 CA2 730/4885CA1 1603/4885ACHE 3905/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA2 349/4885CA1 1728/4885ACHE 565/4885

“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.