SCHEMBL8250338

SCHEMBL8250338

Cc1nc(C[C@H](NC(CC(C)C)C(=O)O)C(=O)O)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ACE2 Q9BYF1 4/20 0.40
ACE P12821 3/20 0.40
SLC12A2 P55011 1/20 0.39
SLC12A5 Q9H2X9 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
LTA4H P09960 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
BACE1 P56817 1/20 0.37
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL5870157 1.00 MAPT (0.40) MAPTACE2ACESLC12A2SLC12A5
SCHEMBL8254599 0.85 GABRA5 (0.47) MAPTACE2ACEMEN1KMT2A
SCHEMBL5869739 0.85 GABRA5 (0.47) MAPTACE2ACEMEN1KMT2A
SCHEMBL8249164 0.82 KDM4E (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1690993 0.82 KDM4E (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5869777 0.82 SHMT1 (0.41) MAPTACE2ACENPC1RAB9A
SCHEMBL6925810 0.82 ALDH1A1 (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5869659 0.82 ALDH1A1 (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5869648 0.82 ALDH1A1 (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5869664 0.82 ALDH1A1 (0.46) MAPTMEN1KMT2ANPC1RAB9A

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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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 MAPT 2548/4885ACE2 2/4885ACE 1/4885

“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.