SCHEMBL1823293

SCHEMBL1823293

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ACHE P22303 1/20 0.47
ATM Q13315 1/20 0.46
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
ACACA Q13085 2/20 0.44
TACR1 P25103 1/20 0.43
PPARG P37231 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RORC P51449 1/20 0.41

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
SCHEMBL3574852 0.91 ATM (0.57) CA1CA2ACHEATMCTSL
SCHEMBL1825687 0.88 ACACB (0.47) ACACBCA1CA2ACHEATM
SCHEMBL1826255 0.86 MEN1 (0.50) CA1CA2ACHEATMCTSL
SCHEMBL1822425 0.85 SYK (0.49) CA1CA2ACHEATMCTSL
SCHEMBL1826461 0.85 ATM (0.54) CA1CA2ACHEATMCTSL
SCHEMBL1827984 0.85 ATM (0.59) CA1CA2ACHEATMCTSL
SCHEMBL3568232 0.85 P2RX7 (0.51) ACACBTACR1PPARGALDH1A1
SCHEMBL1826234 0.84 ACACB (0.44) ACACBCA1CA2ACACAPPARG
SCHEMBL34473818 0.83 ALDH1A1 (0.50) ACACBATMCTSLCTSSACACA
SCHEMBL1825202 0.83 ATM (0.67) CA1CA2ACHEATMCTSL

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 ACACB 2993/4885CA1 1603/4885CA2 730/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ACACB 2259/4885CA1 1728/4885CA2 349/4885

“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.