SCHEMBL3568475

SCHEMBL3568475

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
CYP2D6 P10635 1/20 0.41
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MMP13 P45452 1/20 0.38
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 2/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
AGTR1 P30556 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
SCHEMBL1823945 0.94 HTT (0.40) ABCB1CYP2D6CTSSCTSKALDH1A1
SCHEMBL1825333 0.91 THRB (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1827274 0.91 ABCB1 (0.36) ABCB1CYP2D6CTSSCTSKALDH1A1
SCHEMBL1827975 0.90 KMT2A (0.40) ABCB1ALDH1A1MEN1KMT2AHTT
SCHEMBL1827564 0.86 SYK (0.49) CTSSMAPTCA1CA2
SCHEMBL1826013 0.86 SYK (0.47) ABCB1CTSSALDH1A1NPSR1MAPT
SCHEMBL1826490 0.85 ABCB1 (0.50) ABCB1CTSSCTSKALDH1A1NPSR1
SCHEMBL1827656 0.84 P2RX7 (0.44) ABCB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1824072 0.82 CASP3 (0.48) KMT2ATP53
SCHEMBL1825418 0.81 ABCB1 (0.50) ABCB1CYP2D6CTSSCTSKALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US 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 ABCB1 1436/4885CYP2D6 188/4885CTSS 3179/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ABCB1 209/4885CYP2D6 84/4885CTSS 687/4885

“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.