SCHEMBL1824696

SCHEMBL1824696

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
CXCR2 P25025 2/20 0.38
STS P08842 1/20 0.38
CXCR1 P25024 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL1824132 0.87 ALDH1A1 (0.41) ALDH1A1CYP3A4ENPP3ENPP1CXCR2
SCHEMBL1823657 0.86 CXCR2 (0.41) ALDH1A1CYP3A4ENPP3ENPP1CXCR2
SCHEMBL1828038 0.85 ENPP3 (0.39) ALDH1A1ENPP3ENPP1CXCR2STS
SCHEMBL1822914 0.83 ALDH1A1 (0.41) ALDH1A1CYP3A4ENPP3ENPP1CXCR2
SCHEMBL1826916 0.82 TDP1 (0.49) ALDH1A1CYP3A4ENPP3ENPP1SMN1; SMN2
SCHEMBL1826367 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4STSSMN1; SMN2CA2
SCHEMBL1827804 0.81 KMT2A (0.52) ALDH1A1ENPP3ENPP1CA2CA12
SCHEMBL11033663 0.81 LMNA (0.52) ALDH1A1CYP3A4SMN1; SMN2POLBMAPT
SCHEMBL1826060 0.81 HTT (0.39) ALDH1A1ENPP3ENPP1CXCR2STS
SCHEMBL1826046 0.81 CXCR2 (0.39) ALDH1A1CYP3A4ENPP3ENPP1CXCR2

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 ALDH1A1 1099/4885CYP3A4 45/4885ENPP3 3529/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885CYP3A4 15/4885ENPP3 1984/4885

“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.