SCHEMBL1825441

SCHEMBL1825441

CC(C)OC(=O)C(CNC(=O)OC(C)(C)C)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.39
ADRB3 P13945 1/20 0.39
SYK P43405 1/20 0.38
CTSK P43235 3/20 0.38
CTSS P25774 2/20 0.38
CA2 P00918 3/20 0.36
EGFR P00533 1/20 0.36
CA1 P00915 2/20 0.36
ACACB O00763 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1827491 0.93 GPR17 (0.40) MMP13CA2EGFRCA1
SCHEMBL1823707 0.92 SYK (0.41) MMP13ADRB3SYKCTSKCTSS
SCHEMBL3572152 0.91 SYK (0.40) MMP13ADRB3SYKCTSKCTSS
SCHEMBL1826055 0.90 SYK (0.41) MMP13ADRB3SYKCTSKCTSS
SCHEMBL1825264 0.89 MMP13 (0.41) MMP13SYKCTSKCTSSCA2
SCHEMBL1828395 0.88 SYK (0.39) MMP13SYKCTSKCTSSCA2
SCHEMBL1824945 0.88 SYK (0.48) MMP13ADRB3SYKCTSKCTSS
SCHEMBL1823643 0.87 MTNR1A (0.44) ADRB3CTSKCTSS
SCHEMBL1825989 0.87 CA1 (0.45) MMP13ADRB3CTSKCTSSCA2
SCHEMBL1822884 0.85 ADRB3 (0.38) MMP13ADRB3SYKCTSKCTSS

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 MMP13 4589/4885ADRB3 1280/4885SYK 1520/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MMP13 4114/4885ADRB3 1134/4885SYK 1172/4885

“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.