SCHEMBL3571109

SCHEMBL3571109

COC(=O)CC(N)(C(=O)OCc1ccccc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
ALDH1A1 P00352 2/20 0.41
PTPN1 P18031 3/20 0.39
ACHE P22303 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPRC P08575 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1826950 0.93 CA1 (0.41) CA1CA2CA12CA9ALDH1A1
SCHEMBL1826807 0.90 PPARG (0.41) CA1CA2CA12CA9ALDH1A1
SCHEMBL1825257 0.89 P2RX7 (0.40) CA1CA2CA12CA9ALDH1A1
SCHEMBL1827566 0.89 CA12 (0.39) CA1CA2CA12CA9PTPN1
SCHEMBL1826418 0.89 TSHR (0.40) CA1CA2CA12CA9ALDH1A1
SCHEMBL1828226 0.86 P2RX7 (0.47) ALDH1A1PPARGMEN1KMT2AMAPT
SCHEMBL1826015 0.85 CA12 (0.39) CA1CA2CA12CA9ALDH1A1
SCHEMBL1822099 0.81 PTPN1 (0.36) CA1CA2CA12CA9PTPN1
SCHEMBL1823022 0.81 TDP1 (0.40) CA1CA2CA12CA9ALDH1A1
SCHEMBL1823948 0.81 CA2 (0.35) CA1CA2CA12CA9ALDH1A1

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 CA1 1603/4885CA2 730/4885CA12 1498/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA1 1728/4885CA2 349/4885CA12 670/4885

“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.