SCHEMBL7550028

SCHEMBL7550028

COc1ccc(CN2C[C@H](CC(=O)O)N(C(=O)NC3CCCCC3)[C@@H](CC(C)C)C2=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 3/20 0.43
EPHX1 P07099 1/20 0.43
CTSD P07339 5/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 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
SCHEMBL7543669 1.00 KMT2A (0.46) KMT2ATDP1POLBRECQLMEN1
SCHEMBL7544507 1.00 KMT2A (0.46) KMT2ATDP1POLBRECQLMEN1
SCHEMBL7543665 1.00 KMT2A (0.46) KMT2ATDP1POLBRECQLMEN1
SCHEMBL7543666 1.00 KMT2A (0.46) KMT2ATDP1POLBRECQLMEN1
SCHEMBL7541940 0.94 KMT2A (0.46) KMT2ATDP1POLBRECQLMEN1
SCHEMBL7541937 0.94 KMT2A (0.46) KMT2ATDP1POLBRECQLMEN1
SCHEMBL7543076 0.94 KMT2A (0.46) KMT2ATDP1POLBRECQLMEN1
SCHEMBL7543080 0.94 KMT2A (0.46) KMT2ATDP1POLBRECQLMEN1
SCHEMBL7645521 0.88 KMT2A (0.43) KMT2ATDP1POLBRECQLMEN1
SCHEMBL7643928 0.88 KMT2A (0.43) KMT2ATDP1POLBRECQLMEN1

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-6462046-B2 NON-THIAZOLIDINEDIONE PPARGAMMA AGONISTS; USEFUL IN MODULATION OF BLOOD GLUCOSE AND THE INCREASE OF INSULIN SENSITIVITY IN MAMMALS ADVANCED SYNTECH, LLC 2002-10-08 US claimed
WO-2002053546-A1 HETEROCYCLE DERIVATIVES AS PPAR-GAMMA AGONISTS ADVANCED SYNTECH, LLC (US) 2002-07-11 WO claimed
US-20020082263-A1 Heterocycle derivatives as PPAR-gamma agonists ADVANCED SYNTECH LLC 2002-06-27 US claimed
US-6462046-B2 NON-THIAZOLIDINEDIONE PPARGAMMA AGONISTS; USEFUL IN MODULATION OF BLOOD GLUCOSE AND THE INCREASE OF INSULIN SENSITIVITY IN MAMMALS ADVANCED SYNTECH, LLC 2002-10-08 US disclosed
WO-2002053546-A1 HETEROCYCLE DERIVATIVES AS PPAR-GAMMA AGONISTS ADVANCED SYNTECH, LLC (US) 2002-07-11 WO disclosed
US-20020082263-A1 Heterocycle derivatives as PPAR-gamma agonists ADVANCED SYNTECH LLC 2002-06-27 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-20020082263-A1 Heterocycle derivatives as PPAR-gamma agonists PPARG, PPARD, PPARA KMT2A 2543/4885TDP1 3595/4885POLB 1886/4885

“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.