SCHEMBL1822099

SCHEMBL1822099

CS(=O)(=O)Oc1ccc(C(N)(CC(=O)OCc2ccccc2)C(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.36
KMT2A Q03164 1/20 0.36
CASP3 P42574 2/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
FABP5 Q01469 2/20 0.34
FABP7 O15540 1/20 0.34
CDC25B P30305 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL1825771 0.90 KMT2A (0.36) PTPN1KMT2ACASP3CA1CA2
SCHEMBL1823608 0.90 CA1 (0.36) KMT2ACASP3PPARGPPARACA1
SCHEMBL1824604 0.89 KMT2A (0.39) KMT2ACASP3CA1CA2CA12
SCHEMBL1824523 0.88 LMNA (0.41) PPARG
SCHEMBL1826950 0.87 CA1 (0.41) PTPN1PPARGPPARACA1CA2
SCHEMBL1824075 0.87 CA1 (0.36) KMT2ACASP3CA1CA2CA12
SCHEMBL3577977 0.86 CYP1A2 (0.37) KMT2ACASP3CA1CA2CA12
SCHEMBL1826807 0.83 PPARG (0.41) PTPN1KMT2APPARGPPARACA1
SCHEMBL1826915 0.82 HSD11B1 (0.38) KMT2ACASP3PPARGPPARACA1
SCHEMBL1826015 0.82 CA12 (0.39) PTPN1PPARGPPARACA1CA2

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 PTPN1 963/4885KMT2A 1068/4885CASP3 1512/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PTPN1 4064/4885KMT2A 1084/4885CASP3 854/4885

“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.