SCHEMBL1824970

SCHEMBL1824970

CCOC(=O)CC(c1cccc(OS(=O)(=O)c2ccccc2)c1)C(N)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
EPHX2 P34913 1/20 0.33
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32
ADRB3 P13945 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL1825016 0.95 DHODH (0.35) CASP3EPHX2KMT2ACYP1A2MEN1
SCHEMBL1823323 0.92 CASP3 (0.40) CASP3EPHX2KMT2A
SCHEMBL1826908 0.91 CASP3 (0.37) CASP3EPHX2KMT2ACYP1A2CA1
SCHEMBL1826186 0.91 KMT2A (0.37) CASP3SMN1; SMN2F2EPHX2KMT2A
SCHEMBL1825077 0.91 CASP3 (0.37) CASP3F10EPHX2KMT2ACYP1A2
SCHEMBL1823766 0.91 CASP3 (0.39) CASP3NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1824795 0.90 CASP3 (0.36) CASP3EPHX2KMT2ACA1CA2
SCHEMBL1824997 0.89 LMNA (0.38) CASP3SMN1; SMN2KMT2A
SCHEMBL1822423 0.88 CASP3 (0.35) CASP3EPHX2ALDH1A1
SCHEMBL1824362 0.88 CASP3 (0.37) CASP3NPC1RAB9ASMN1; SMN2F2

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 CASP3 1512/4885NPC1 928/4885RAB9A 385/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885NPC1 707/4885RAB9A 980/4885

“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.