SCHEMBL3046541

SCHEMBL3046541

COc1ccc(C(=O)N2CCc3cc(S(N)(=O)=O)c(OC)cc3C2=O)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.78
CA9 Q16790 2/20 0.78
MAPK1 P28482 1/20 0.47
PDE4B Q07343 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NR3C1 P04150 1/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3051349 0.90 CA2 (0.63) CA2CA9CA1CA7CA14
SCHEMBL3055432 0.88 CA9 (0.61) CA2CA9CA1CA7CA14
SCHEMBL3052262 0.87 CA2 (0.60) CA2CA9PDE4BCA1CA7
SCHEMBL3048405 0.86 CA2 (0.58) CA2CA9CA1CA7CA14
SCHEMBL3052647 0.86 CA2 (0.75) CA2CA9MAPK1PDE4BPDE4D
SCHEMBL3062616 0.84 CA2 (0.56) CA2CA9CA1CA7CA14
SCHEMBL3062610 0.83 CA2 (0.55) CA2CA9PDE4BCA1CA7
SCHEMBL3048192 0.77 CA2 (0.65) CA2CA9MAPK1PDE4BPDE4D
SCHEMBL3057016 0.75 CA2 (0.60) CA2CA9PDE4BPDE4DCA1
SCHEMBL3050834 0.73 CA2 (0.58) CA2CA9ALDH1A1LMNAMEN1

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-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US claimed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
EP-2155192-B1 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LTD (GB) 2016-09-28 EP disclosed
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 1002/4885MAPK1 3252/4885

“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.