SCHEMBL1828359

SCHEMBL1828359

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.40
STS P08842 3/20 0.40
PTGS1 P23219 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 1/20 0.40
THRB P10828 1/20 0.39
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
AOC3 Q16853 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
SCHEMBL3570817 0.87 PTGS1 (0.54) KMT2AALDH1A1PTGS1PTGS2POLB
SCHEMBL1824283 0.84 L3MBTL1 (0.40) KMT2AALDH1A1STSPTGS1L3MBTL1
SCHEMBL1826817 0.84 L3MBTL1 (0.40) KMT2AALDH1A1STSPTGS1L3MBTL1
SCHEMBL1826099 0.84 KMT2A (0.49) KMT2AALDH1A1PTGS1L3MBTL1PTGS2
SCHEMBL1828260 0.84 KMT2A (0.46) KMT2AALDH1A1STSCA1CA2
SCHEMBL1825408 0.82 KMT2A (0.38) KMT2AALDH1A1STSL3MBTL1AOC3
SCHEMBL1820755 0.82 GPR17 (0.47) KMT2AALDH1A1L3MBTL1
SCHEMBL1826340 0.81 LTA4H (0.46) KMT2ACA1CA2CA9
SCHEMBL1825862 0.81 ALDH1A1 (0.39) KMT2AALDH1A1PTGS1L3MBTL1PTGS2
SCHEMBL1821260 0.80 KMT2A (0.44) KMT2ACA1CA2CA9

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 1068/4885ALDH1A1 1099/4885STS 625/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KMT2A 1084/4885ALDH1A1 1440/4885STS 131/4885

“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.