SCHEMBL89909

SCHEMBL89909

COCCCOc1cc(N(C(=O)[C@@H]2C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.36
USP30 Q70CQ3 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GPR119 Q8TDV5 1/20 0.33
LTB4R Q15722 3/20 0.33
REN P00797 1/20 0.33
LTB4R2 Q9NPC1 2/20 0.33
EPHX2 P34913 1/20 0.33
STS P08842 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
LIPE Q05469 1/20 0.32

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
SCHEMBL89632 0.93 PDE4B (0.39) PDE4BUSP30MEN1KMT2AGPR119
SCHEMBL89756 0.90 MEN1 (0.37) PDE4BUSP30MEN1KMT2AGPR119
SCHEMBL10282964 0.88 USP30 (0.39) PDE4BUSP30MEN1KMT2AGPR119
SCHEMBL89134 0.88 GPR119 (0.37) PDE4BUSP30MEN1KMT2AGPR119
SCHEMBL89118 0.85 REN (0.42) PDE4BUSP30MEN1KMT2AREN
SCHEMBL90536 0.83 PDE4B (0.40) PDE4BUSP30MEN1KMT2AGPR119
SCHEMBL89889 0.81 PDE4B (0.38) PDE4BMEN1KMT2AGPR119REN
SCHEMBL89881 0.79 REN (0.44) PDE4BUSP30MEN1KMT2AGPR119
SCHEMBL89477 0.79 REN (0.42) PDE4BUSP30MEN1KMT2AGPR119
SCHEMBL89819 0.78 REN (0.44) USP30REN

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 PDE4B 904/4885USP30 2713/4885MEN1 2336/4885

“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.