SCHEMBL6539829

SCHEMBL6539829

COc1ccc(-c2nc(C3CC3)oc2-c2ccc(OCCNS(C)(=O)=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
ROS1 P08922 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
AKT1 P31749 1/20 0.38
CLK2 P49760 1/20 0.38

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
SCHEMBL6540113 0.90 TP53 (0.39) POLBTP53ALDH1A1MEN1KMT2A
SCHEMBL6539395 0.86 POLB (0.41) POLBTP53NPC1RAB9AKDM4E
SCHEMBL6539106 0.84 ALDH1A1 (0.44) TP53ALDH1A1MEN1KMT2AHTT
SCHEMBL6540419 0.83 ALDH1A1 (0.44) TP53ALDH1A1MEN1KMT2AHTT
SCHEMBL6538890 0.83 MTNR1A (0.44) POLBTP53ALDH1A1MEN1KMT2A
SCHEMBL6539607 0.83 PPARD (0.41) POLBTP53MEN1KMT2ACDK1
SCHEMBL6538962 0.82 PPARD (0.39) POLBTP53ALDH1A1MEN1KMT2A
SCHEMBL6540181 0.82 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHTTDYRK3
SCHEMBL6540424 0.82 ALDH1A1 (0.42) POLBALDH1A1MEN1KMT2AHTT
SCHEMBL6207074 0.81 ALDH1A1 (0.41) TP53ALDH1A1MEN1KMT2AHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 POLB 2793/4885TP53 4743/4885ALDH1A1 163/4885

“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.