SCHEMBL3058596

SCHEMBL3058596

COc1cc(OC)cc(C(=O)N2CCc3cc(S(N)(=O)=O)ccc3C2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.78
CA2 P00918 8/20 0.78
CA9 Q16790 8/20 0.78
CA14 Q9ULX7 8/20 0.78
CA7 P43166 7/20 0.78
CA12 O43570 2/20 0.53
ALDH1A1 P00352 3/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PRSS1 P07477 1/20 0.47

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
SCHEMBL3176806 0.82 CA1 (0.74) CA1CA2CA9CA14CA7
SCHEMBL3056632 0.82 CA1 (0.58) CA1CA2CA9CA14CA7
SCHEMBL3048798 0.81 CA1 (0.64) CA1CA2CA9CA14CA7
SCHEMBL5523403 0.78 CA1 (0.80) CA1CA2CA9CA14CA7
SCHEMBL3054858 0.78 CA2 (0.53) CA1CA2CA9CA14CA7
SCHEMBL3057847 0.76 MAPK1 (0.62) CA1CA2CA9CA14CA7
SCHEMBL3051707 0.76 HRH3 (0.56) CA1CA2CA9CA14CA7
SCHEMBL8239825 0.76 CA1 (0.72) CA1CA2CA9CA14CA7
SCHEMBL3045923 0.73 CA1 (0.72) CA1CA2CA9CA14CA7
SCHEMBL3056638 0.73 PDE4B (0.65) CA1CA2CA9CA14CA7

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-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
EP-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 WO 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 CA1 1200/4885CA2 1077/4885CA9 1002/4885

“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.