SCHEMBL5869382

SCHEMBL5869382

CC(C)C[C@H](N[C@@H](CC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
STAT3 P40763 1/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CASP3 P42574 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
MAPT P10636 4/20 0.58
ELOVL1 Q9BW60 1/20 0.57
MAPK1 P28482 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
SLC12A2 P55011 1/20 0.54
SLC12A5 Q9H2X9 1/20 0.54
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53

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
SCHEMBL5869395 1.00 MEN1 (0.60) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL5869368 1.00 MEN1 (0.60) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL2752592 0.86 MEN1 (0.78) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL8249811 0.85 MEN1 (0.61) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL5869819 0.80 CSNK1D (0.62) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL5869831 0.80 CSNK1D (0.62) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL5869854 0.80 CSNK1D (0.62) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL5869363 0.79 MAPK1 (0.49) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL8250088 0.79 MAPK1 (0.49) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL7424422 0.79 MEN1 (0.53) MEN1KMT2ASTAT3NPC1RAB9A

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-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 MEN1 3996/4885KMT2A 1880/4885STAT3 2847/4885

“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.