SCHEMBL1827771

SCHEMBL1827771

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
AGTR1 P30556 1/20 0.46
RAB9A P51151 1/20 0.46
ABCB1 P08183 1/20 0.45
MMP13 P45452 1/20 0.43
P2RX7 Q99572 7/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL1826490 0.95 ABCB1 (0.50) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL1826246 0.91 ABCB1 (0.43) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL1827338 0.91 TSHR (0.44) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL1820857 0.91 P2RX7 (0.44) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL1823238 0.89 P2RX7 (0.50) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL1824501 0.88 POLB (0.47) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL1824109 0.86 MEN1 (0.43) ALDH1A1HTTMAPTABCB1MMP13
SCHEMBL1822474 0.85 KMT2A (0.49) ALDH1A1LMNAHTTMAPTRAB9A
SCHEMBL1823945 0.85 HTT (0.40) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL1827656 0.85 P2RX7 (0.44) ALDH1A1LMNATSHRHTTMAPT

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 1099/4885LMNA 1802/4885PKM 4396/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885LMNA 1130/4885PKM 3542/4885

“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.