SCHEMBL3577977

SCHEMBL3577977

CC(C)OC(=O)CC(N)(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 4/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
KMT2A Q03164 2/20 0.35
FABP5 Q01469 3/20 0.32
FABP7 O15540 2/20 0.32
EPHX2 P34913 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL1826011 0.90 CASP3 (0.36) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1824604 0.90 KMT2A (0.39) CASP3CA1CA2KMT2AFABP5
SCHEMBL1823608 0.89 CA1 (0.36) CYP1A2TSHRCYP2C19CASP3CA1
SCHEMBL1824075 0.88 CA1 (0.36) CASP3CA1CA2KMT2AFABP5
SCHEMBL1822336 0.88 ENPP2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1822099 0.86 PTPN1 (0.36) CASP3CA1CA2KMT2AFABP5
SCHEMBL1826418 0.82 TSHR (0.40) TSHRCA1CA2CA12CA9
SCHEMBL1827178 0.80 CASP3 (0.38) CASP3CA1CA2KMT2AFABP5
SCHEMBL1826915 0.79 HSD11B1 (0.38) CYP1A2CASP3CA1CA2KMT2A
SCHEMBL1826076 0.78 CASP3 (0.35) CASP3CA1CA2KMT2AFABP5

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 CYP1A2 22/4885CYP3A4 45/4885CYP2D6 188/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CYP1A2 14/4885CYP3A4 15/4885CYP2D6 84/4885

“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.