SCHEMBL3571107

SCHEMBL3571107

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
ACHE P22303 4/20 0.51
ATM Q13315 1/20 0.47
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
KLK1 P06870 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ELANE P08246 1/20 0.42
PRTN3 P24158 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL1826947 0.94 CA1 (0.49) CA1CA2ACHEATMCTSL
SCHEMBL1826805 0.92 CA1 (0.47) CA1CA2ACHEATMCTSL
SCHEMBL1826417 0.91 CA1 (0.48) CA1CA2ACHEATMCTSL
SCHEMBL1827564 0.90 SYK (0.49) CA1CA2ACHEATMCTSL
SCHEMBL1825255 0.89 P2RX7 (0.47) CA1CA2ACHEATMCASP1
SCHEMBL6958944 0.86 ATM (0.54) ATMCTSLCTSSALDH1A1CYP1A2
SCHEMBL16201457 0.86 ATM (0.54) ATMCTSLCTSSALDH1A1CYP1A2
SCHEMBL1828225 0.86 P2RX7 (0.55) CA1CA2ACHE
SCHEMBL1824593 0.86 KMT2A (0.44) CA1CA2ACHEALDH1A1
SCHEMBL1826013 0.85 SYK (0.47) CA1CA2ACHECTSLCTSS

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 730/4885ACHE 3905/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA1 1728/4885CA2 349/4885ACHE 565/4885

“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.