SCHEMBL3052679

SCHEMBL3052679

COc1cccc(S(=O)(=O)N2CCc3cc(O)c(OC)cc3C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.51
CYP11B2 P19099 3/20 0.48
PTGER2 P43116 1/20 0.47
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
DHCR7 Q9UBM7 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP7 P09237 2/20 0.43
MMP9 P14780 2/20 0.43
MMP12 P39900 2/20 0.43
MMP14 P50281 2/20 0.43
MMP15 P51511 2/20 0.43
MMP16 P51512 2/20 0.43
MMP26 Q9NRE1 2/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL3059107 0.89 CYP11B1 (0.48) CYP11B1CYP11B2PTGER2PDE4APDE4B
SCHEMBL3051277 0.88 MMP2 (0.46) PDE4APDE4BPDE4CPDE4DKDM2B
SCHEMBL3046225 0.88 MMP2 (0.54) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL3050420 0.84 MMP1 (0.44) PTGER2PDE4APDE4BPDE4CPDE4D
SCHEMBL13178635 0.83 CYP11B1 (0.48) CYP11B1CYP11B2PTGER2PDE4APDE4B
SCHEMBL3051148 0.82 CHRNA7 (0.48) CYP11B1CYP11B2PTGER2PDE4APDE4B
SCHEMBL3061756 0.81 TSHR (0.48) PDE4APDE4BPDE4CPDE4DKDM2B
SCHEMBL3059224 0.79 AKR1C3 (0.65) PDE4BPDE4DDHCR7AKR1C3ALDH1A1
SCHEMBL3049285 0.77 MMP2 (0.44) PDE4APDE4BPDE4CPDE4DKDM2B
SCHEMBL3051781 0.76 PKM (0.48) PDE4APDE4BPDE4CPDE4DMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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 (1 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-20100222299-A1 COMPOUND MKI67, VHL, MYC CYP11B1 98/4885CYP11B2 71/4885PTGER2 2377/4885

“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.