SCHEMBL1827104

SCHEMBL1827104

COC(=O)C(OCc1ccccc1)c1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
FAAH O00519 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB3 P13945 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL1823272 0.90 FAAH (0.44) KMT2AMEN1FAAHADRB3SMN1; SMN2
SCHEMBL1826784 0.89 PPARG (0.45) KMT2AFAAHADRB2ADRB3SMN1; SMN2
SCHEMBL1824721 0.86 CA1 (0.50) SMN1; SMN2CA1CA2ACHEPPARG
SCHEMBL1827095 0.86 P2RX7 (0.43) KMT2AMEN1
SCHEMBL1824283 0.83 L3MBTL1 (0.40) KMT2AFAAHALDH1A1
SCHEMBL1821260 0.83 KMT2A (0.44) KMT2AMEN1FAAHADRB2ADRB3
SCHEMBL1826426 0.82 ADRB2 (0.41) KMT2AFAAHADRB2ADRB3SMN1; SMN2
SCHEMBL2838421 0.81 ALOX5 (0.48) KMT2AMEN1FAAHADRB2ADRB3
SCHEMBL9675264 0.81 KMT2A (0.55) KMT2AMEN1ALDH1A1
SCHEMBL1821259 0.81 CA1 (0.44) KMT2AMEN1FAAHSMN1; SMN2CA1

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 KMT2A 1068/4885MEN1 421/4885FAAH 2017/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KMT2A 1084/4885MEN1 183/4885FAAH 1771/4885

“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.