SCHEMBL3582246

SCHEMBL3582246

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ACACB O00763 6/20 0.39
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
ACACA Q13085 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SDCBP O00560 1/20 0.36
SDC2 P34741 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
CXCR2 P25025 1/20 0.36

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
SCHEMBL1824576 0.88 KMT2A (0.46) KMT2AMEN1ACACBPPARDPPARA
SCHEMBL1823656 0.85 THRB (0.44) KMT2AMEN1ACACBACACASMN1; SMN2
SCHEMBL1827274 0.85 ABCB1 (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1SDCBP
SCHEMBL1821922 0.85 KMT2A (0.47) KMT2AMEN1ACACBACACASMN1; SMN2
SCHEMBL1823903 0.84 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1827975 0.84 KMT2A (0.40) KMT2AMEN1ACACBPPARDPPARA
SCHEMBL1826417 0.81 CA1 (0.48) KMT2AMEN1
SCHEMBL1827252 0.81 ACACB (0.46) ACACBPPARDPPARA
SCHEMBL1823783 0.81 MTNR1A (0.39) ACACBPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL1825868 0.80 TSHR (0.43) KMT2AMEN1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US 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 421/4885ACACB 2993/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KMT2A 1084/4885MEN1 183/4885ACACB 2259/4885

“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.