SCHEMBL1824698

SCHEMBL1824698

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC15A1 P46059 1/20 0.40
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
F10 P00742 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.37
F2 P00734 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
SCHEMBL1828893 0.95 P2RX7 (0.47) P2RX7SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1825144 0.94 SLC15A1 (0.42) P2RX7SMN1; SMN2ALDH1A1SLC15A1LMNA
SCHEMBL1826448 0.91 P2RX7 (0.49) P2RX7SMN1; SMN2ALDH1A1SLC15A1NPC1
SCHEMBL1824865 0.91 KCNA5 (0.42) P2RX7SMN1; SMN2ALDH1A1SLC15A1NPC1
SCHEMBL1824127 0.90 PPARG (0.45) SLC15A1PKMF10LMNAL3MBTL1
SCHEMBL1824782 0.89 SMN1; SMN2 (0.41) P2RX7SMN1; SMN2ALDH1A1SLC15A1PKM
SCHEMBL3574287 0.89 P2RX7 (0.40) P2RX7SMN1; SMN2ALDH1A1SLC15A1
SCHEMBL1825854 0.88 P2RX7 (0.43) P2RX7SLC15A1
SCHEMBL1826182 0.87 P2RX7 (0.48) P2RX7SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1827411 0.86 P2RX7 (0.43) P2RX7SLC15A1

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 P2RX7 3606/4885SMN1; SMN2 2274/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885SMN1; 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.