SCHEMBL4516305

SCHEMBL4516305

CCCCNC[C@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ENPP2 Q13822 1/20 0.47
LPAR1 Q92633 2/20 0.44
LPAR3 Q9UBY5 2/20 0.44
LTA4H P09960 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALOX5 P09917 1/20 0.42
MAOB P27338 1/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL4516309 1.00 REN (0.51) RENMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5220912 0.90 REN (0.40) RENKDM4ETDP1HDAC3
SCHEMBL5220920 0.90 REN (0.40) RENKDM4ETDP1HDAC3
SCHEMBL4340160 0.87 MAOB (0.47) RENMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5223916 0.87 SIGMAR1 (0.41) RENMEN1KMT2A
SCHEMBL5223922 0.87 SIGMAR1 (0.41) RENMEN1KMT2A
SCHEMBL5224655 0.86 CSNK1E (0.41) MEN1KMT2A
SCHEMBL5224641 0.86 CSNK1E (0.41) MEN1KMT2A
SCHEMBL5221702 0.81 GAA (0.54) MEN1KMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL5221710 0.81 GAA (0.54) MEN1KMT2ARAB9ASMN1; SMN2KDM4E

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-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 REN 796/4885MEN1 4418/4885KMT2A 864/4885

“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.