SCHEMBL3103473

SCHEMBL3103473

CC(=O)Oc1ccc(-c2cc(C3CC[N+](C(=O)[O-])(C(=O)OCc4ccccc4)CC3)nn2-c2ccc(OC(C)=O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.42
MCL1 Q07820 4/20 0.41
BCL2 P10415 3/20 0.41
MGLL Q99685 5/20 0.41
FAAH O00519 3/20 0.38
KCNJ6 P48051 2/20 0.37
KCNJ3 P48549 2/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RPA1 P27694 1/20 0.36
CRACR2A Q9BSW2 1/20 0.36
KCNJ5 P48544 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL3100058 0.82 MGLL (0.49) MDM2MCL1BCL2MGLLFAAH
SCHEMBL13993243 0.80 MGLL (0.53) MDM2MCL1BCL2MGLLFAAH
SCHEMBL3109291 0.74 MGLL (0.58) MDM2MCL1BCL2MGLLKCNJ6
SCHEMBL3100073 0.73 MDM2 (0.56) MDM2MCL1BCL2MGLLFAAH
SCHEMBL3099562 0.72 MGLL (0.56) MDM2MGLLFAAHKCNJ6KCNJ3
SCHEMBL3100698 0.72 MGLL (0.55) MGLLFAAH
SCHEMBL13158575 0.72 MGLL (0.54) MGLLFAAH
SCHEMBL3096845 0.72 MGLL (0.55) MDM2MCL1BCL2MGLLKCNJ6
SCHEMBL3098084 0.72 MGLL (0.55) MDM2MCL1BCL2MGLLKCNJ6
SCHEMBL3093698 0.72 MGLL (0.55) MGLLRPA1

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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 MDM2 3246/4885MCL1 4635/4885BCL2 4362/4885

“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.