SCHEMBL1827338

SCHEMBL1827338

CCOC(=O)CC(NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ABCB1 P08183 1/20 0.43
P2RX7 Q99572 7/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MMP13 P45452 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
AGTR1 P30556 1/20 0.40
RAB9A P51151 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL1826029 0.92 P2RX7 (0.44) TSHRP2RX7ALDH1A1HTTTP53
SCHEMBL1826490 0.92 ABCB1 (0.50) TSHRABCB1P2RX7ALDH1A1SMN1; SMN2
SCHEMBL1827771 0.91 ALDH1A1 (0.46) TSHRABCB1P2RX7ALDH1A1SMN1; SMN2
SCHEMBL1823238 0.90 P2RX7 (0.50) TSHRABCB1P2RX7ALDH1A1SMN1; SMN2
SCHEMBL1826246 0.88 ABCB1 (0.43) TSHRABCB1P2RX7ALDH1A1SMN1; SMN2
SCHEMBL1826497 0.87 P2RX7 (0.56) P2RX7LMNAMAPT
SCHEMBL1826008 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2ATMLMNAHTT
SCHEMBL1825333 0.86 THRB (0.41) TSHRALDH1A1SMN1; SMN2HTTTP53
SCHEMBL1824643 0.86 P2RX7 (0.48) P2RX7
SCHEMBL1274264 0.85 TSHR (0.51) TSHRALDH1A1ATMLMNAHTT

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 TSHR 1200/4885ABCB1 1436/4885P2RX7 3606/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TSHR 2860/4885ABCB1 209/4885P2RX7 2747/4885

“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.