SCHEMBL2608463

SCHEMBL2608463

CB(O)N1C[C@@H](OC(=O)N2CCc3ccccc3C2)C[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
ABHD6 Q9BV23 1/20 0.41
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KEAP1 Q14145 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 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
SCHEMBL13047495 1.00 NOTUM (0.43) NOTUMABHD6HSD11B1KMT2AMEN1
SCHEMBL2608452 0.90 NOTUM (0.41) NOTUMABHD6HSD11B1KMT2AMEN1
SCHEMBL13047498 0.90 NOTUM (0.41) NOTUMABHD6HSD11B1KMT2AMEN1
SCHEMBL2608464 0.84 NOTUM (0.47) NOTUMABHD6HSD11B1KMT2AMEN1
SCHEMBL13223170 0.84 NOTUM (0.52) NOTUMABHD6HSD11B1KMT2AMEN1
SCHEMBL2102123 0.82 NOTUM (0.44) NOTUMABHD6HSD11B1KMT2AMEN1
SCHEMBL3739001 0.80 PRMT5 (0.48) NOTUMABHD6TP53PRMT5WDR77
SCHEMBL2100310 0.80 PRMT5 (0.48) NOTUMABHD6TP53PRMT5WDR77
SCHEMBL8278742 0.78 NOTUM (0.50) NOTUMABHD6HSD11B1KMT2AMEN1
SCHEMBL7856938 0.78 ABHD6 (0.43) NOTUMABHD6HSD11B1KMT2AMEN1

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-8163693-B2 Urea-containing peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2009-03-26 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-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, SLC14A1, RPL35 NOTUM 3415/4885ABHD6 2763/4885HSD11B1 4074/4885

“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.