SCHEMBL3052238

SCHEMBL3052238

COc1cc2c(cc1S(N)(=O)=O)CCN(Cc1cc(OC)c(OC)c(OC)c1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.47
CA2 P00918 3/20 0.47
P2RX3 P56373 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA1B P35368 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3055589 0.94 CA2 (0.44) CA9CA2P2RX3MEN1KMT2A
SCHEMBL3055755 0.89 P2RX3 (0.47) CA9CA2P2RX3MEN1KMT2A
SCHEMBL3153291 0.87 GRM5 (0.52) CA9CA2P2RX3MEN1KMT2A
SCHEMBL3052615 0.84 CA9 (0.59) CA9CA2MEN1KMT2AKDM4E
SCHEMBL3186155 0.81 GRM5 (0.45) P2RX3KDM4E
SCHEMBL3064371 0.78 CA9 (0.76) CA9CA2MEN1KMT2AKDM4E
SCHEMBL3054937 0.78 CA9 (0.54) CA9CA2MEN1KMT2AKDM4E
SCHEMBL3055432 0.77 CA9 (0.61) CA9CA2MEN1KMT2AKDM4E
SCHEMBL3051083 0.76 HTR2A (0.54)
SCHEMBL3058816 0.75 CA2 (0.43) CA9CA2MEN1KMT2AKDM4E

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 CA9 1002/4885CA2 1077/4885P2RX3 2536/4885

“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.