SCHEMBL3048306

SCHEMBL3048306

COc1cccc(CN2C(=O)CCc3cc(S(N)(=O)=O)c(OC)cc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.48
CHRM5 P08912 2/20 0.43
TRIM24 O15164 1/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
ALDH3A1 P30838 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 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
SCHEMBL3171813 0.89 POLB (0.51) TRIM24ALDH1A1POLBMAPT
SCHEMBL3050378 0.89 CA12 (0.47) CMA1TRIM24ALDH1A1MEN1KMT2A
SCHEMBL3061603 0.85 CMA1 (0.52) CMA1CHRM5ALDH1A1POLBMEN1
SCHEMBL3055359 0.84 CYP1A2 (0.47) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL3058816 0.83 CA2 (0.43) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3049004 0.82 USP2 (0.43) TRIM24POLBMEN1KMT2AMAPT
SCHEMBL3051389 0.80 HDAC6 (0.51) CMA1POLB
SCHEMBL30806594 0.78 ATAD2 (0.57) CMA1CHRM5ALDH1A1POLBMEN1
SCHEMBL27377277 0.78 ATAD2 (0.57) CMA1CHRM5ALDH1A1POLBMEN1
SCHEMBL3059033 0.78 CA2 (0.43) POLBKDM4E

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 CMA1 1896/4885CHRM5 4557/4885TRIM24 3728/4885

“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.