SCHEMBL8436836

SCHEMBL8436836

CC(C)CC(C=O)NC(CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.53
CTSB P07858 4/20 0.53
ALDH1A1 P00352 5/20 0.49
LARS1 Q9P2J5 1/20 0.48
MMP3 P08254 1/20 0.44
KAT6A Q92794 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 1/20 0.42
NPY1R P25929 1/20 0.42
NPY5R Q15761 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSS P25774 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 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
SCHEMBL5869702 0.89 ALDH1A1 (0.54) ALDH1A1LARS1MMP3KAT6ALMNA
SCHEMBL5869715 0.89 ALDH1A1 (0.54) ALDH1A1LARS1MMP3KAT6ALMNA
SCHEMBL5869706 0.89 ALDH1A1 (0.54) ALDH1A1LARS1MMP3KAT6ALMNA
SCHEMBL8436817 0.88 MMP9 (0.48) MMP3GAA
SCHEMBL8437064 0.84 MMP3 (0.56) ALDH1A1MMP3LMNAGAASMN1; SMN2
SCHEMBL5870434 0.78 LARS1 (0.55) ALDH1A1LARS1KAT6ALMNAGAA
SCHEMBL5870107 0.78 LARS1 (0.55) ALDH1A1LARS1KAT6ALMNAGAA
SCHEMBL5870439 0.78 LARS1 (0.55) ALDH1A1LARS1KAT6ALMNAGAA
SCHEMBL5138984 0.76 KDM4E (0.61) ALDH1A1LARS1MMP3KAT6AMEN1
SCHEMBL15251693 0.76 KDM4E (0.61) ALDH1A1LARS1MMP3KAT6AMEN1

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 1 patent. 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

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 CAPN1 1360/4885CTSB 438/4885ALDH1A1 1305/4885

“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.