SCHEMBL3058816

SCHEMBL3058816

COc1cc2c(cc1S(N)(=O)=O)CCC(=O)N2Cc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.43
CA9 Q16790 6/20 0.43
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA14 Q9ULX7 1/20 0.38
PKM P14618 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL3059033 0.94 CA2 (0.43) CA2CA9CA12CA1CA14
SCHEMBL3171813 0.87 POLB (0.51) CA2CA9CA12CA1ALDH1A1
SCHEMBL3050378 0.86 CA12 (0.47) CA2CA9CA12CA1MEN1
SCHEMBL3054425 0.84 CA9 (0.54) CA2CA9
SCHEMBL3048306 0.83 CMA1 (0.48) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3055359 0.81 CYP1A2 (0.47) CA2CA9CA12CA1PKM
SCHEMBL3049004 0.81 USP2 (0.43) CA2CA9CA12CA1CA14
SCHEMBL3056478 0.80 CA9 (0.52) CA2CA9KDM4E
SCHEMBL3059159 0.75 HDAC6 (0.51)
SCHEMBL3052238 0.75 CA9 (0.47) CA2CA9KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA2 1077/4885CA9 1002/4885CA12 1459/4885

“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.