SCHEMBL1828347

SCHEMBL1828347

CC(=O)NC(C)Cc1cccc(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ACACB O00763 8/20 0.48
GPR17 Q13304 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MAPT P10636 1/20 0.43
G6PD P11413 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL1824966 0.87 GAA (0.51) GAAACACBGPR17MAPTG6PD
SCHEMBL1824312 0.87 GPR17 (0.43) GAAACACBGPR17AKR1C3AKR1C2
SCHEMBL1821715 0.86 P2RX7 (0.47) GAAGPR17MAPTG6PDNPSR1
SCHEMBL1824282 0.86 ACACB (0.59) GAAACACB
SCHEMBL1821735 0.86 PLAU (0.53) GPR17AKR1C3AKR1C2MEN1KMT2A
SCHEMBL1822693 0.85 PLAU (0.47) GAAGPR17AKR1C3AKR1C2MAPT
SCHEMBL1825379 0.85 P2RX7 (0.54) GAA
SCHEMBL1823790 0.85 TACR1 (0.48) GAAGPR17AKR1C3AKR1C2MAPT
SCHEMBL4599792 0.83 ALDH1A1 (0.47) GAAGPR17MAPTG6PDNPSR1
SCHEMBL1826561 0.82 GPR17 (0.47) GAAACACBGPR17MAPTG6PD

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 GAA 2170/4885ACACB 2993/4885GPR17 4205/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 GAA 98/4885ACACB 2259/4885GPR17 4459/4885

“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.