SCHEMBL1824645

SCHEMBL1824645

CCOC(=O)CC(N)(C(=O)OCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
P2RX7 Q99572 10/20 0.40
PKM P14618 1/20 0.38
PTPN1 P18031 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1825028 0.95 P2RX7 (0.45) ALDH1A1P2RX7LMNAMAPT
SCHEMBL1823022 0.94 TDP1 (0.40) SMN1; SMN2ALDH1A1P2RX7PTPN1LMNA
SCHEMBL1826680 0.91 LMNA (0.48) ALDH1A1P2RX7LMNAMAPT
SCHEMBL1825257 0.91 P2RX7 (0.40) SMN1; SMN2ALDH1A1P2RX7PTPN1MAPT
SCHEMBL1826807 0.90 PPARG (0.41) HSD11B1ALDH1A1PTPN1LMNANPC1
SCHEMBL1823092 0.89 P2RX7 (0.44) SMN1; SMN2ALDH1A1P2RX7PTPN1MAPT
SCHEMBL1823540 0.88 P2RX7 (0.39) P2RX7PTPN1TDP1
SCHEMBL1828226 0.87 P2RX7 (0.47) ALDH1A1P2RX7LMNAMAPT
SCHEMBL1823240 0.87 P2RX7 (0.44) SMN1; SMN2ALDH1A1P2RX7LMNAMAPT
SCHEMBL1827341 0.87 HSD11B1 (0.45) HSD11B1SMN1; SMN2ALDH1A1P2RX7LMNA

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 HSD11B1 230/4885SMN1; SMN2 2274/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 HSD11B1 79/4885SMN1; SMN2 3216/4885ALDH1A1 1440/4885

“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.