SCHEMBL3046471

SCHEMBL3046471

COc1cc(CN2CCc3cc(S(N)(=O)=O)c(OC)cc3C2)cc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.60
CA9 Q16790 3/20 0.60
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
ABCB1 P08183 9/20 0.55
ABCC1 P33527 2/20 0.55
ABCG2 Q9UNQ0 2/20 0.55
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.48
CA7 P43166 1/20 0.48
REV1 Q9UBZ9 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
SCHEMBL3048961 0.90 ABCB1 (0.69) CA2CA9KDM4EABCB1ABCC1
SCHEMBL3042196 0.89 DHCR7 (0.58) CA2CA9KDM4EGAAMAPT
SCHEMBL3064371 0.89 CA9 (0.76) CA2CA9KDM4EGAAMAPT
SCHEMBL3061675 0.86 REV1 (0.61) CA2CA9KDM4EGAAMAPT
SCHEMBL3056516 0.85 KDM4E (0.66) CA2CA9KDM4EGAAMAPT
SCHEMBL3062059 0.84 PDE4B (0.61) CA2CA9KDM4EGAAMAPT
SCHEMBL3055597 0.84 REV1 (0.51) CA2CA9KDM4EGAAMAPT
SCHEMBL3049199 0.84 REV1 (0.53) CA2CA9KDM4EMAPTABCB1
SCHEMBL3045905 0.84 KDM4E (0.52) CA2CA9KDM4EMAPTABCB1
SCHEMBL3061514 0.83 CA2 (0.49) CA2CA9KDM4EGAAMAPT

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 6 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
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 CA2 1077/4885CA9 1002/4885KDM4E 1083/4885

“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.